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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: DB04574
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB04574 Estrone sulfate Thumb


2 known interactions (targets) of input drug (DB04574): Estrone sulfate
No. Gene UniProt ID Protein Name Pathway PDB
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224
2 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224


20 predicted interactions (targets) of input drug (DB04574): Estrone sulfate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 40.4%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 30.9%
3 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 25.9%
4 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 25.5%
5 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 22.6%
6 TFF1 P04155 Trefoil factor 1 hsa04915 1HI7; 1PS2 18.1%
7 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 17.9%
8 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 17.1%
9 IL2RA P01589 Interleukin-2 receptor subunit alpha hsa04060; hsa04144; hsa04151; hsa04630; hsa04640; hsa04658; hsa04659; hsa05162; hsa05166; hsa05200 1ILM; 1ILN; 1Z92; 2B5I; 2ERJ; 3IU3; 3NFP 15.8%
10 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 15.0%
11 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 14.9%
12 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 14.2%
13 CYP1B1 Q16678 Cytochrome P450 1B1 hsa00140; hsa00380; hsa00980; hsa04913; hsa05204; hsa05206 3PM0 14.1%
14 COMT P21964 Catechol O-methyltransferase hsa00140; hsa00350; hsa01100; hsa04728 3A7E; 3BWM; 3BWY; 4PYI; 4PYJ; 4PYK; 4XUC; 4XUD; 4XUE 13.6%
15 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 12.8%
16 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 12.3%
17 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 12.3%
18 CLC Q05315 Galectin-10 NA 1G86; 1HDK; 1LCL; 1QKQ 12.2%
19 BCL2 P10415 Apoptosis regulator Bcl-2 hsa01521; hsa01522; hsa01524; hsa04064; hsa04066; hsa04071; hsa04115; hsa04140; hsa04141; hsa04151; hsa04210; hsa04215; hsa04217; hsa04261; hsa04340; hsa04510; hsa04621; hsa04630; hsa04722; hsa04725; hsa04915; hsa04928; hsa04933; hsa05014; hsa05145; hsa05152; hsa05161; hsa05169; hsa05170; hsa05200; hsa05206; hsa05210; hsa05215; hsa05222; hsa05226; hsa05418 1G5M; 1GJH; 1YSW; 2O21; 2O22; 2O2F; 2W3L; 2XA0; 4AQ3; 4IEH; 4LVT; 4LXD; 4MAN; 5AGW; 5AGX 11.8%
20 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 11.7%


  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.