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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: P49286
No. Gene UniProt ID Protein Name Pathway PDB
1 MTNR1B P49286 Melatonin receptor type 1B hsa04080; hsa04713 NA


5 known interactions (drugs) of input target (MTNR1B): Melatonin receptor type 1B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB01065 Melatonin Thumb
2 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02709 Resveratrol Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB00980 Ramelteon Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB09071 Tasimelteon Thumb
5 Approved;
Investigational		 SmallMoleculeDrug DB06594 Agomelatine Thumb


20 predicted interactions (drugs) of input target (MTNR1B): Melatonin receptor type 1B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 27.9%
2 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 26.3%
3 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb 23.0%
4 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 22.7%
5 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 20.5%
6 Withdrawn SmallMoleculeDrug DB04821 Nomifensine Thumb 20.4%
7 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 19.9%
8 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb 19.8%
9 Approved;
Investigational		 SmallMoleculeDrug DB00334 Olanzapine Thumb 18.6%
10 Approved;
Nutraceutical		 SmallMoleculeDrug DB00132 Alpha-Linolenic Acid Thumb 18.1%
11 Approved;
Investigational		 SmallMoleculeDrug DB01026 Ketoconazole Thumb 18.1%
12 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB04272 Citric Acid Thumb 17.6%
13 Approved;
Investigational		 SmallMoleculeDrug DB00328 Indomethacin Thumb 17.5%
14 Approved;
Investigational		 SmallMoleculeDrug DB09568 Omega-3-carboxylic acids Thumb 17.0%
15 Approved SmallMoleculeDrug DB00381 Amlodipine Thumb 16.9%
16 Approved SmallMoleculeDrug DB01115 Nifedipine Thumb 16.9%
17 Approved SmallMoleculeDrug DB01087 Primaquine Thumb 16.7%
18 Approved SmallMoleculeDrug DB00244 Mesalazine Thumb 16.6%
19 Approved;
Illicit		 SmallMoleculeDrug DB01567 Fludiazepam Thumb 16.6%
20 Experimental SmallMoleculeDrug DB07970 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide Thumb 16.5%


  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.