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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB03588
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03588 Diphenylacetic Acid Thumb


1 known interactions (targets) of input drug (DB03588): Diphenylacetic Acid
No. Gene UniProt ID Protein Name Pathway PDB
1 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH


20 predicted interactions (targets) of input drug (DB03588): Diphenylacetic Acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PLAU P00749 Urokinase-type plasminogen activator hsa04064; hsa04610; hsa05202; hsa05205; hsa05206; hsa05215 19.1%
2 PLA2G2A P14555 Phospholipase A2, membrane associated hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1AYP; 1BBC; 1DB4; 1DB5; 1DCY; 1J1A; 1KQU; 1KVO; 1N28; 1N29; 1POD; 1POE; 2GNY; 3U8B; 3U8D; 3U8H; 3U8I 17.8%
3 DPP4 P27487 Dipeptidyl peptidase 4 hsa04974 16.3%
4 TNF P01375 Tumor necrosis factor hsa01523; hsa04010; hsa04060; hsa04064; hsa04071; hsa04150; hsa04210; hsa04217; hsa04350; hsa04380; hsa04612; hsa04620; hsa04621; hsa04622; hsa04625; hsa04640; hsa04650; hsa04657; hsa04660; hsa04664; hsa04668; hsa04920; hsa04930; hsa04931; hsa04932; hsa04933; hsa04940; hsa05010; hsa05014; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05168; hsa05170; hsa05205; hsa05310; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05410; hsa05414; hsa05418 1A8M; 1TNF; 2AZ5; 2E7A; 2TUN; 2ZJC; 2ZPX; 3ALQ; 3IT8; 3L9J; 3WD5; 4G3Y; 4TSV; 4TWT; 5TSW 15.8%
5 NFKB1 P19838 Nuclear factor NF-kappa-B p105 subunit hsa01523; hsa04010; hsa04014; hsa04024; hsa04062; hsa04064; hsa04066; hsa04071; hsa04151; hsa04210; hsa04211; hsa04218; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04917; hsa04920; hsa04926; hsa04931; hsa04932; hsa04933; hsa05030; hsa05120; hsa05131; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05202; hsa05203; hsa05206; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05321; hsa05418 1MDI; 1MDJ; 1MDK; 1NFI; 1SVC; 2DBF; 2O61; 3GUT 14.7%
6 YARS P54577 Tyrosine--tRNA ligase, cytoplasmic hsa00970 1N3L; 1NTG; 1Q11; 4Q93; 4QBT 14.1%
7 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 13.3%
8 SKP1 P63208 S-phase kinase-associated protein 1 hsa04110; hsa04114; hsa04120; hsa04141; hsa04310; hsa04350; hsa04710; hsa05168; hsa05170; hsa05200 1FQV; 1FS1; 1FS2; 1LDK; 1P22; 2ASS; 2AST; 2E31; 2E32; 2OVP; 2OVQ; 2OVR; 3L2O; 3WSO; 4I6J 12.3%
9 NFKB2 Q00653 Nuclear factor NF-kappa-B p100 subunit hsa04010; hsa04064; hsa04380; hsa04625; hsa05134; hsa05166; hsa05169; hsa05200; hsa05203; hsa05224 1A3Q; 2D96; 3DO7; 4OT9 12.3%
10 PIM1 P11309 Serine/threonine-protein kinase pim-1 hsa04630; hsa04933; hsa05200; hsa05206; hsa05221 12.1%
11 PTGIS Q16647 Prostacyclin synthase hsa00590; hsa01100 2IAG; 3B6H 12.0%
12 GSK3B P49841 Glycogen synthase kinase-3 beta hsa01521; hsa04012; hsa04062; hsa04110; hsa04150; hsa04151; hsa04310; hsa04340; hsa04360; hsa04390; hsa04510; hsa04550; hsa04657; hsa04660; hsa04662; hsa04722; hsa04728; hsa04910; hsa04916; hsa04917; hsa04919; hsa04931; hsa04932; hsa04934; hsa05010; hsa05160; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05200; hsa05210; hsa05213; hsa05215; hsa05217; hsa05224; hsa05225; hsa05226 12.0%
13 FKBP1A P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A NA 11.9%
14 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA 11.5%
15 PFKFB1 P16118 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 hsa00051; hsa04152; hsa04922 1K6M 11.3%
16 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 11.1%
17 ARG1 P05089 Arginase-1 hsa00220; hsa00330; hsa01100; hsa01230; hsa05146 10.9%
18 PTGDR2 Q9Y5Y4 Prostaglandin D2 receptor 2 NA NA 10.8%
19 PROC P04070 Vitamin K-dependent protein C hsa04610 1AUT; 1LQV; 1PCU; 2PCT; 3F6U; 3JTC; 4DT7 10.7%
20 DCPS Q96C86 m7GpppX diphosphatase hsa03018 1ST0; 1ST4; 1XML; 1XMM; 3BL7; 3BL9; 3BLA; 4QDE; 4QDV; 4QEB 10.6%


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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.