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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: DB02987
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB02987 Cysteine-S-Acetamide Thumb

2 known interactions (targets) of input drug (DB02987): Cysteine-S-Acetamide
No. Gene UniProt ID Protein Name Pathway PDB
1 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH
2 OAS1 P00973 2'-5'-oligoadenylate synthase 1 hsa04621; hsa05160; hsa05162; hsa05164; hsa05168 4IG8

20 predicted interactions (targets) of input drug (DB02987): Cysteine-S-Acetamide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 EDNRA P25101 Endothelin-1 receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04270; hsa04924; hsa05200 NA 17.6%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 17.1%
3 CAD P27708 CAD protein hsa00240; hsa00250; hsa01100 4BY3; 4C6B; 4C6C; 4C6D; 4C6E; 4C6F; 4C6I; 4C6J; 4C6K; 4C6L; 4C6M; 4C6N; 4C6O; 4C6P; 4C6Q 16.7%
4 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 16.4%
5 GCK P35557 Glucokinase hsa00010; hsa00052; hsa00500; hsa00520; hsa00524; hsa01100; hsa01200; hsa04910; hsa04911; hsa04917; hsa04922; hsa04930; hsa04950; hsa05230 15.9%
6 DTYMK P23919 Thymidylate kinase hsa00240; hsa01100 15.9%
7 CASP3 P42574 Caspase-3 hsa01524; hsa04010; hsa04115; hsa04210; hsa04215; hsa04650; hsa04657; hsa04668; hsa04726; hsa04932; hsa04933; hsa05010; hsa05012; hsa05014; hsa05016; hsa05120; hsa05133; hsa05134; hsa05145; hsa05146; hsa05152; hsa05161; hsa05163; hsa05165; hsa05167; hsa05168; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05222; hsa05416 15.8%
8 SERPINC1 P01008 Antithrombin-III hsa04610 15.6%
9 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 15.6%
10 ATP6V1A P38606 V-type proton ATPase catalytic subunit A hsa00190; hsa01100; hsa04145; hsa04150; hsa04721; hsa04966; hsa05110; hsa05120; hsa05165; hsa05323 NA 15.0%
11 COX5A P20674 Cytochrome c oxidase subunit 5A, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA 14.7%
12 NME1 P15531 Nucleoside diphosphate kinase A hsa00230; hsa00240; hsa00983; hsa01100 1JXV; 1UCN; 2HVD; 2HVE; 3L7U; 4ENO 14.4%
13 RNASE2 P10153 Non-secretory ribonuclease NA 1GQV; 1HI2; 1HI3; 1HI4; 1HI5; 1K2A; 2BEX; 2BZZ; 2C01; 2C02; 2C05; 5E13 14.3%
14 JAK3 P52333 Tyrosine-protein kinase JAK3 hsa04062; hsa04151; hsa04217; hsa04550; hsa04630; hsa04658; hsa04659; hsa05162; hsa05166; hsa05169; hsa05200; hsa05203; hsa05223; hsa05340 1YVJ; 3LXK; 3LXL; 3PJC; 3ZC6; 3ZEP; 4HVD; 4HVG; 4HVH; 4HVI; 4I6Q; 4QPS; 4QT1; 4RIO 14.2%
15 EDNRB P24530 Endothelin B receptor hsa04020; hsa04022; hsa04080; hsa04916; hsa04926; hsa05200 NA 14.1%
16 MAPKAPK2 P49137 MAP kinase-activated protein kinase 2 hsa04010; hsa04218; hsa04370; hsa04625; hsa04722; hsa05167; hsa05203 14.1%
17 SERPINB2 P05120 Plasminogen activator inhibitor 2 hsa04610 1BY7; 1JRR; 2ARQ; 2ARR 14.0%
18 LRP2 P98164 Low-density lipoprotein receptor-related protein 2 hsa04340; hsa04918; hsa04979 2M0P 13.9%
19 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 13.8%
20 SULT2B1 O00204 Sulfotransferase family cytosolic 2B member 1 hsa00140 1Q1Q; 1Q1Z; 1Q20; 1Q22 13.6%


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.


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.