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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: DB00304
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00304 Desogestrel Thumb


2 known interactions (targets) of input drug (DB00304): Desogestrel
No. Gene UniProt ID Protein Name Pathway PDB
1 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
2 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224


20 predicted interactions (targets) of input drug (DB00304): Desogestrel
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 45.3%
2 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 39.7%
3 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 33.8%
4 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 32.6%
5 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 32.5%
6 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 23.3%
7 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 18.4%
8 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 17.6%
9 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 16.5%
10 CDK1 P06493 Cyclin-dependent kinase 1 hsa04110; hsa04114; hsa04115; hsa04218; hsa04540; hsa04914; hsa05168; hsa05169; hsa05170; hsa05203 1LC9; 4Y72; 4YC6 14.8%
11 HSD17B2 P37059 Estradiol 17-beta-dehydrogenase 2 hsa00140; hsa01100; hsa04913 NA 13.9%
12 CALR P27797 Calreticulin hsa04141; hsa04145; hsa04612; hsa05142; hsa05163; hsa05166; hsa05170 2CLR; 3DOW; 3POS; 3POW 13.7%
13 DHFR P00374 Dihydrofolate reductase hsa00670; hsa00790; hsa01100; hsa01523 13.5%
14 CALM1 P0DP23 Calmodulin NA 13.3%
15 CACNA2D2 Q9NY47 Voltage-dependent calcium channel subunit alpha-2/delta-2 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 13.3%
16 KCNJ8 Q15842 ATP-sensitive inward rectifier potassium channel 8 hsa04022 NA 13.2%
17 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 13.0%
18 HSD3B2 P26439 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2 hsa00140; hsa01100; hsa04913; hsa04925; hsa04927; hsa04934 NA 12.5%
19 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 12.5%
20 CTSF Q9UBX1 Cathepsin F hsa04142; hsa04210 1D5U; 1M6D 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.