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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: DB04271
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04271 3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester Thumb


1 known interactions (targets) of input drug (DB04271): 3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032


20 predicted interactions (targets) of input drug (DB04271): 3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM 36.1%
2 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032 32.8%
3 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX 28.7%
4 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B 16.8%
5 PTGDR2 Q9Y5Y4 Prostaglandin D2 receptor 2 NA NA 16.2%
6 PDE2A O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase hsa00230; hsa04022; hsa04740; hsa04925; hsa05032 1Z1L; 3IBJ; 3ITM; 3ITU; 4C1I; 4D08; 4D09; 4HTX; 4HTZ; 4JIB 15.9%
7 PNMT P11086 Phenylethanolamine N-methyltransferase hsa00350; hsa01100 14.9%
8 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 14.8%
9 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 13.6%
10 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P 13.6%
11 CHEK1 O14757 Serine/threonine-protein kinase Chk1 hsa04110; hsa04115; hsa04218; hsa05166; hsa05170; hsa05203 13.6%
12 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 13.0%
13 PRSS3 P35030 Trypsin-3 hsa04080; hsa04972; hsa04974; hsa05164 1H4W; 2R9P; 3L33; 3L3T; 3P92; 3P95; 4DG4; 4U30; 4U32 12.6%
14 PDE7B Q9NP56 cAMP-specific 3',5'-cyclic phosphodiesterase 7B hsa00230; hsa05032 1LXW 12.5%
15 SCN3A Q9NY46 Sodium channel protein type 3 subunit alpha hsa04742 NA 12.4%
16 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA 12.3%
17 PDE9A O76083 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A hsa00230 11.9%
18 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 11.8%
19 PKIA P61925 cAMP-dependent protein kinase inhibitor alpha hsa05034 11.2%
20 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 11.2%


  logl

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.