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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: DB07036
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07036 (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol Thumb


No. Gene UniProt ID Protein Name Pathway PDB
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224


No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 65.8%
2 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 30.5%
3 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 29.8%
4 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 27.7%
5 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 25.0%
6 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 21.4%
7 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 20.3%
8 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA 20.1%
9 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 18.8%
10 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 17.8%
11 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 14.7%
12 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 14.5%
13 BECN1 Q14457 Beclin-1 hsa04136; hsa04137; hsa04140; hsa04215; hsa04371; hsa05167 2P1L; 2PON; 3DVU; 4DDP; 4MI8; 5EFM; 5HHE 14.2%
14 TFF1 P04155 Trefoil factor 1 hsa04915 1HI7; 1PS2 13.3%
15 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 12.9%
16 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 12.9%
17 CS O75390 Citrate synthase, mitochondrial hsa00020; hsa00630; hsa01100; hsa01200; hsa01210; hsa01230 NA 12.7%
18 CES1 P23141 Liver carboxylesterase 1 hsa00983; hsa01100 1MX1; 1MX5; 1MX9; 1YA4; 1YA8; 1YAH; 1YAJ; 2DQY; 2DQZ; 2DR0; 2H7C; 2HRQ; 2HRR; 3K9B; 4AB1 12.7%
19 SLC5A2 P31639 Sodium/glucose cotransporter 2 NA NA 12.6%
20 DPP4 P27487 Dipeptidyl peptidase 4 hsa04974 12.5%


  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.