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Network of pathways (lightgreen rectangle) and targets (blue spheres) for the queried drug is displayed above.
The red circled blue spheres are used for the predicted targets.
Selecting nodes by clicking will fade out the nodes which are not connected to the selected nodes.

Data source: DrugBank-all; Query type: chemical; # of predictions: 20; Secondary interactions: no
Input drug 1: DB00167


10 pathways for known targets of input drug:
No. Pathway ID Pathway name Pathway Class 1 Pathway Class 2 Targets # of targets p-value (EPD) p-value (EPT)↑
1 hsa00280 Valine, leucine and isoleucine degradation Metabolism Amino acid metabolism BCAT2;BCAT1;ACADSB 3 0.016 1.2E-5
2 hsa00290 Valine, leucine and isoleucine biosynthesis Metabolism Amino acid metabolism BCAT2;BCAT1 2 0.018 1.2E-5
3 hsa01210 2-Oxocarboxylic acid metabolism Metabolism Global and overview maps BCAT2;BCAT1 2 0.013 0.00015
4 hsa00770 Pantothenate and CoA biosynthesis Metabolism Metabolism of cofactors and vitamins BCAT2;BCAT1 2 0.019 0.00015
5 hsa00270 Cysteine and methionine metabolism Metabolism Amino acid metabolism BCAT2;BCAT1 2 0.016 0.0007
6 hsa00970 Aminoacyl-tRNA biosynthesis Genetic Information Processing Translation IARS2;IARS 2 0.016 0.0013
7 hsa01230 Biosynthesis of amino acids Metabolism Global and overview maps BCAT2;BCAT1 2 0.026 0.0014
8 hsa01212 Fatty acid metabolism Metabolism Global and overview maps ACADSB 1 0.013 0.035
9 hsa00071 Fatty acid degradation Metabolism Lipid metabolism ACADSB 1 0.016 0.035
10 hsa01100 Metabolic pathways Metabolism Global and overview maps BCAT2;BCAT1;ACADSB 3 0.27 0.039


105 pathways for predicted targets of input drug:
No. Pathway ID Pathway name Pathway Class 1 Pathway Class 2 Targets # of targets p-value (EPD) p-value (EPT)↑
1 hsa04610 Complement and coagulation cascades Organismal Systems Immune system VWF;F9;PLG 3 0.1 0.1
2 hsa00250 Alanine, aspartate and glutamate metabolism Metabolism Amino acid metabolism ABAT;GPT2 2 0.12 0.18
3 hsa04930 Type II diabetes mellitus Human Diseases Endocrine and metabolic diseases TNF;ABCC8 2 0.096 0.21
4 hsa04080 Neuroactive ligand-receptor interaction Environmental Information Processing Signaling molecules and interaction CHRM2;OPRD1;PLG 3 0.27 0.25
5 hsa04931 Insulin resistance Human Diseases Endocrine and metabolic diseases PPARA;TNF 2 0.097 0.25
6 hsa00130 Ubiquinone and other terpenoid-quinone biosynthesis Metabolism Metabolism of cofactors and vitamins GGCX 1 0.18 0.26
7 hsa05142 Chagas disease (American trypanosomiasis) Human Diseases Infectious diseases: Parasitic TNF;CD3D 2 0.1 0.26
8 hsa04071 Sphingolipid signaling pathway Environmental Information Processing Signal transduction OPRD1;TNF 2 0.098 0.27
9 hsa04920 Adipocytokine signaling pathway Organismal Systems Endocrine system PPARA;TNF 2 0.1 0.27
10 hsa00232 Caffeine metabolism Metabolism Biosynthesis of other secondary metabolites CYP2A6 1 0.25 0.27
11 hsa04660 T cell receptor signaling pathway Organismal Systems Immune system TNF;CD3D 2 0.098 0.29
12 hsa05160 Hepatitis C Human Diseases Infectious diseases: Viral PPARA;TNF 2 0.1 0.3
13 hsa04640 Hematopoietic cell lineage Organismal Systems Immune system TNF;CD3D 2 0.097 0.31
14 hsa02010 ABC transporters Environmental Information Processing Membrane transport ABCC8 1 0.097 0.32
15 hsa04940 Type I diabetes mellitus Human Diseases Endocrine and metabolic diseases TNF 1 0.085 0.32
16 hsa00860 Porphyrin and chlorophyll metabolism Metabolism Metabolism of cofactors and vitamins EPRS 1 0.14 0.32
17 hsa05170 Human immunodeficiency virus 1 infection 0 0 TNF;CD3D 2 0.097 0.32
18 hsa04972 Pancreatic secretion Organismal Systems Digestive system PLA2G2E;CTRB1 2 0.1 0.32
19 hsa04659 Th17 cell differentiation Organismal Systems Immune system CD3D 1 0.1 0.33
20 hsa04928 Parathyroid hormone synthesis, secretion and action Organismal Systems Endocrine system MMP13 1 0.1 0.33
21 hsa04620 Toll-like receptor signaling pathway Organismal Systems Immune system TNF 1 0.099 0.33
22 hsa04625 C-type lectin receptor signaling pathway Organismal Systems Immune system TNF 1 0.095 0.33
23 hsa05332 Graft-versus-host disease Human Diseases Immune diseases TNF 1 0.084 0.33
24 hsa00640 Propanoate metabolism Metabolism Carbohydrate metabolism ABAT 1 0.14 0.33
25 hsa01523 Antifolate resistance Human Diseases Drug resistance: Antineoplastic TNF 1 0.09 0.33
26 hsa00565 Ether lipid metabolism Metabolism Lipid metabolism PLA2G2E 1 0.1 0.33
27 hsa00564 Glycerophospholipid metabolism Metabolism Lipid metabolism PLA2G2E 1 0.096 0.33
28 hsa05215 Prostate cancer Human Diseases Cancers: Specific types SRD5A2 1 0.12 0.33
29 hsa05145 Toxoplasmosis Human Diseases Infectious diseases: Parasitic TNF 1 0.1 0.33
30 hsa04725 Cholinergic synapse Organismal Systems Nervous system CHRM2 1 0.1 0.33
31 hsa04933 AGE-RAGE signaling pathway in diabetic complications Human Diseases Endocrine and metabolic diseases TNF 1 0.095 0.33
32 hsa04151 PI3K-Akt signaling pathway Environmental Information Processing Signal transduction CHRM2;VWF 2 0.17 0.33
33 hsa04668 TNF signaling pathway Environmental Information Processing Signal transduction TNF 1 0.1 0.33
34 hsa04922 Glucagon signaling pathway Organismal Systems Endocrine system PPARA 1 0.096 0.33
35 hsa00410 beta-Alanine metabolism Metabolism Metabolism of other amino acids ABAT 1 0.16 0.33
36 hsa01200 Carbon metabolism Metabolism Global and overview maps GPT2 1 0.09 0.33
37 hsa05144 Malaria Human Diseases Infectious diseases: Parasitic TNF 1 0.096 0.33
38 hsa00220 Arginine biosynthesis Metabolism Amino acid metabolism GPT2 1 0.094 0.33
39 hsa04932 Non-alcoholic fatty liver disease (NAFLD) Human Diseases Endocrine and metabolic diseases PPARA;TNF 2 0.098 0.33
40 hsa05330 Allograft rejection Human Diseases Immune diseases TNF 1 0.087 0.33
41 hsa05340 Primary immunodeficiency Human Diseases Immune diseases CD3D 1 0.094 0.33
42 hsa05146 Amoebiasis Human Diseases Infectious diseases: Parasitic TNF 1 0.099 0.33
43 hsa04975 Fat digestion and absorption Organismal Systems Digestive system PLA2G2E 1 0.088 0.34
44 hsa04064 NF-kappa B signaling pathway Environmental Information Processing Signal transduction TNF 1 0.099 0.34
45 hsa05014 Amyotrophic lateral sclerosis (ALS) Human Diseases Neurodegenerative diseases TNF 1 0.099 0.34
46 hsa05323 Rheumatoid arthritis Human Diseases Immune diseases TNF 1 0.099 0.34
47 hsa05414 Dilated cardiomyopathy (DCM) Human Diseases Cardiovascular diseases TNF 1 0.099 0.34
48 hsa05165 Human papillomavirus infection Human Diseases Infectious diseases: Viral TNF;VWF 2 0.12 0.34
49 hsa04658 Th1 and Th2 cell differentiation Organismal Systems Immune system CD3D 1 0.1 0.34
50 hsa04024 cAMP signaling pathway Environmental Information Processing Signal transduction PPARA;CHRM2 2 0.18 0.34
51 hsa04270 Vascular smooth muscle contraction Organismal Systems Circulatory system PLA2G2E 1 0.1 0.34
52 hsa04911 Insulin secretion Organismal Systems Endocrine system ABCC8 1 0.096 0.34
53 hsa04350 TGF-beta signaling pathway Environmental Information Processing Signal transduction TNF 1 0.093 0.34
54 hsa04611 Platelet activation Organismal Systems Immune system VWF 1 0.1 0.34
55 hsa04974 Protein digestion and absorption Organismal Systems Digestive system CTRB1 1 0.097 0.34
56 hsa05410 Hypertrophic cardiomyopathy (HCM) Human Diseases Cardiovascular diseases TNF 1 0.092 0.34
57 hsa05143 African trypanosomiasis Human Diseases Infectious diseases: Parasitic TNF 1 0.096 0.35
58 hsa05162 Measles Human Diseases Infectious diseases: Viral CD3D 1 0.096 0.35
59 hsa05322 Systemic lupus erythematosus Human Diseases Immune diseases TNF 1 0.093 0.35
60 hsa04512 ECM-receptor interaction Environmental Information Processing Signaling molecules and interaction VWF 1 0.13 0.35
61 hsa04650 Natural killer cell mediated cytotoxicity Organismal Systems Immune system TNF 1 0.097 0.35
62 hsa05310 Asthma Human Diseases Immune diseases TNF 1 0.09 0.35
63 hsa04727 GABAergic synapse Organismal Systems Nervous system ABAT 1 0.1 0.35
64 hsa00980 Metabolism of xenobiotics by cytochrome P450 Metabolism Xenobiotics biodegradation and metabolism CYP2A6 1 0.095 0.35
65 hsa04612 Antigen processing and presentation Organismal Systems Immune system TNF 1 0.097 0.35
66 hsa05166 Human T-cell leukemia virus 1 infection Human Diseases Infectious diseases: Viral TNF;CD3D 2 0.096 0.35
67 hsa05150 Staphylococcus aureus infection Human Diseases Infectious diseases: Bacterial PLG 1 0.084 0.35
68 hsa04210 Apoptosis Cellular Processes Cell growth and death TNF 1 0.1 0.35
69 hsa05204 Chemical carcinogenesis Human Diseases Cancers: Overview CYP2A6 1 0.098 0.35
70 hsa04926 Relaxin signaling pathway Organismal Systems Endocrine system MMP13 1 0.1 0.35
71 hsa00983 Drug metabolism - other enzymes Metabolism Xenobiotics biodegradation and metabolism CYP2A6 1 0.092 0.35
72 hsa00140 Steroid hormone biosynthesis Metabolism Lipid metabolism SRD5A2 1 0.096 0.35
73 hsa05134 Legionellosis Human Diseases Infectious diseases: Bacterial TNF 1 0.095 0.35
74 hsa05133 Pertussis Human Diseases Infectious diseases: Bacterial TNF 1 0.098 0.35
75 hsa04380 Osteoclast differentiation Organismal Systems Development TNF 1 0.098 0.35
76 hsa05418 Fluid shear stress and atherosclerosis Human Diseases Cardiovascular diseases TNF 1 0.11 0.35
77 hsa05140 Leishmaniasis Human Diseases Infectious diseases: Parasitic TNF 1 0.1 0.36
78 hsa03320 PPAR signaling pathway Organismal Systems Endocrine system PPARA 1 0.094 0.36
79 hsa05164 Influenza A Human Diseases Infectious diseases: Viral TNF;PLG 2 0.1 0.36
80 hsa00591 Linoleic acid metabolism Metabolism Lipid metabolism PLA2G2E 1 0.085 0.36
81 hsa05161 Hepatitis B Human Diseases Infectious diseases: Viral TNF 1 0.1 0.36
82 hsa00592 alpha-Linolenic acid metabolism Metabolism Lipid metabolism PLA2G2E 1 0.11 0.36
83 hsa04010 MAPK signaling pathway Environmental Information Processing Signal transduction TNF;MAPK8IP1 2 0.12 0.36
84 hsa00650 Butanoate metabolism Metabolism Carbohydrate metabolism ABAT 1 0.19 0.36
85 hsa00590 Arachidonic acid metabolism Metabolism Lipid metabolism PLA2G2E 1 0.096 0.36
86 hsa04657 IL-17 signaling pathway Organismal Systems Immune system MMP13;TNF 2 0.099 0.36
87 hsa04664 Fc epsilon RI signaling pathway Organismal Systems Immune system TNF 1 0.099 0.36
88 hsa00830 Retinol metabolism Metabolism Metabolism of cofactors and vitamins CYP2A6 1 0.085 0.36
89 hsa05321 Inflammatory bowel disease (IBD) Human Diseases Immune diseases TNF 1 0.093 0.37
90 hsa04622 RIG-I-like receptor signaling pathway Organismal Systems Immune system TNF 1 0.095 0.37
91 hsa04150 mTOR signaling pathway Environmental Information Processing Signal transduction TNF 1 0.096 0.37
92 hsa00982 Drug metabolism - cytochrome P450 Metabolism Xenobiotics biodegradation and metabolism CYP2A6 1 0.095 0.37
93 hsa04022 cGMP-PKG signaling pathway Environmental Information Processing Signal transduction OPRD1 1 0.12 0.38
94 hsa04217 Necroptosis Cellular Processes Cell growth and death TNF 1 0.1 0.38
95 hsa04621 NOD-like receptor signaling pathway Organismal Systems Immune system TNF 1 0.1 0.39
96 hsa05010 Alzheimer disease Human Diseases Neurodegenerative diseases TNF 1 0.096 0.39
97 hsa05152 Tuberculosis Human Diseases Infectious diseases: Bacterial TNF 1 0.1 0.4
98 hsa05168 Herpes simplex infection Human Diseases Infectious diseases: Viral TNF 1 0.099 0.4
99 hsa04020 Calcium signaling pathway Environmental Information Processing Signal transduction CHRM2 1 0.18 0.4
100 hsa05205 Proteoglycans in cancer Human Diseases Cancers: Overview TNF 1 0.12 0.42
101 hsa04510 Focal adhesion Cellular Processes Cellular community - eukaryotes VWF 1 0.096 0.42
102 hsa04810 Regulation of actin cytoskeleton Cellular Processes Cell motility CHRM2 1 0.11 0.44
103 hsa05163 Human cytomegalovirus infection 0 0 TNF 1 0.11 0.45
104 hsa04014 Ras signaling pathway Environmental Information Processing Signal transduction PLA2G2E 1 0.1 0.46
105 hsa04060 Cytokine-cytokine receptor interaction Environmental Information Processing Signaling molecules and interaction TNF 1 0.096 0.53


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Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.