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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: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: Q99527
No. Gene UniProt ID Protein Name Pathway PDB
1 GPER1 Q99527 G-protein coupled estrogen receptor 1 hsa01522; hsa04915 NA


8 known interactions (drugs) of input target (GPER1): G-protein coupled estrogen receptor 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB13956 Estradiol valerate Thumb
2 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB13954 Estradiol cypionate Thumb
3 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB13955 Estradiol dienanthate Thumb
4 Investigational SmallMoleculeDrug DB01645 Genistein Thumb
5 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB00783 Estradiol Thumb
6 Investigational SmallMoleculeDrug DB05939 MK-0354 Thumb
7 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB13952 Estradiol acetate Thumb
8 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB13953 Estradiol benzoate Thumb


20 predicted interactions (drugs) of input target (GPER1): G-protein coupled estrogen receptor 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Investigational
SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb 56.2%
2 Investigational SmallMoleculeDrug DB04468 Afimoxifene Thumb 50.6%
3 Approved;
Withdrawn
SmallMoleculeDrug DB04824 Phenolphthalein Thumb 32.9%
4 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb 32.7%
5 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb 31.6%
6 Approved;
Investigational
SmallMoleculeDrug DB00564 Carbamazepine Thumb 31.4%
7 Experimental SmallMoleculeDrug DB07932 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate Thumb 30.7%
8 Experimental SmallMoleculeDrug DB06902 4-(1-methyl-1-phenylethyl)phenol Thumb 30.1%
9 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB01110 Miconazole Thumb 29.5%
10 Experimental SmallMoleculeDrug DB06884 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE Thumb 28.5%
11 Experimental SmallMoleculeDrug DB07485 4,4'-cyclohexane-1,1-diyldiphenol Thumb 28.3%
12 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB04573 Estriol Thumb 27.9%
13 Experimental SmallMoleculeDrug DB06973 4,4'-PROPANE-2,2-DIYLDIPHENOL Thumb 27.9%
14 Approved SmallMoleculeDrug DB00977 Ethinyl Estradiol Thumb 27.6%
15 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb 27.5%
16 Approved;
Vet approved
SmallMoleculeDrug DB00572 Atropine Thumb 26.5%
17 Experimental SmallMoleculeDrug DB08595 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL Thumb 26.5%
18 Approved SmallMoleculeDrug DB01878 Benzophenone Thumb 26.2%
19 Experimental SmallMoleculeDrug DB02998 Methyltrienolone Thumb 25.9%
20 Experimental SmallMoleculeDrug DB13869 2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol Thumb 25.6%



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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.