QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: DB04429
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04429 4'-Hydroxyflavanone Thumb


1 known interactions (targets) of input drug (DB04429): 4'-Hydroxyflavanone
No. Gene UniProt ID Protein Name Pathway PDB
1 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW


20 predicted interactions (targets) of input drug (DB04429): 4'-Hydroxyflavanone
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 30.8%
2 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 24.7%
3 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 23.2%
4 SRD5A1 P18405 3-oxo-5-alpha-steroid 4-dehydrogenase 1 hsa00140 NA 20.2%
5 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 18.4%
6 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 15.9%
7 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 15.6%
8 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 15.3%
9 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 14.8%
10 SRD5A2 P31213 3-oxo-5-alpha-steroid 4-dehydrogenase 2 hsa00140; hsa05215 NA 14.7%
11 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 13.6%
12 MTTP P55157 Microsomal triglyceride transfer protein large subunit hsa04975 NA 13.5%
13 PRKCA P17252 Protein kinase C alpha type hsa01521; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04070; hsa04071; hsa04072; hsa04150; hsa04151; hsa04261; hsa04270; hsa04310; hsa04360; hsa04370; hsa04510; hsa04540; hsa04650; hsa04664; hsa04666; hsa04670; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04750; hsa04911; hsa04912; hsa04916; hsa04918; hsa04919; hsa04921; hsa04925; hsa04926; hsa04928; hsa04933; hsa04960; hsa04961; hsa04970; hsa04971; hsa04972; hsa05031; hsa05032; hsa05110; hsa05130; hsa05143; hsa05146; hsa05161; hsa05163; hsa05164; hsa05170; hsa05200; hsa05205; hsa05206; hsa05214; hsa05223; hsa05225; hsa05231 2ELI; 3IW4; 4DNL; 4RA4 12.9%
14 SRC P12931 Proto-oncogene tyrosine-protein kinase Src hsa01521; hsa01522; hsa04012; hsa04015; hsa04062; hsa04137; hsa04144; hsa04360; hsa04370; hsa04510; hsa04520; hsa04530; hsa04540; hsa04611; hsa04625; hsa04727; hsa04750; hsa04810; hsa04912; hsa04915; hsa04917; hsa04919; hsa04921; hsa04926; hsa05100; hsa05120; hsa05131; hsa05152; hsa05161; hsa05163; hsa05167; hsa05203; hsa05205; hsa05219; hsa05418 12.8%
15 CYP1B1 Q16678 Cytochrome P450 1B1 hsa00140; hsa00380; hsa00980; hsa04913; hsa05204; hsa05206 3PM0 12.4%
16 SOAT2 O75908 Sterol O-acyltransferase 2 hsa00100; hsa04979 NA 12.3%
17 CACNA1B Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B hsa04010; hsa04020; hsa04721; hsa04723; hsa04725; hsa04726; hsa04727; hsa04728; hsa04930; hsa05032; hsa05033 2LCM 11.6%
18 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 11.4%
19 BRAF P15056 Serine/threonine-protein kinase B-raf hsa01521; hsa01522; hsa04010; hsa04012; hsa04015; hsa04024; hsa04062; hsa04068; hsa04150; hsa04270; hsa04510; hsa04650; hsa04720; hsa04722; hsa04726; hsa04730; hsa04810; hsa04910; hsa04914; hsa04928; hsa04934; hsa05034; hsa05160; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226 11.3%
20 CACNB1 Q6TME4 Voltage-dependent L-type calcium channel subunit beta-1 NA NA 11.1%


  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.