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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: P48039
No. Gene UniProt ID Protein Name Pathway PDB
1 MTNR1A P48039 Melatonin receptor type 1A hsa04080; hsa04713 NA


5 known interactions (drugs) of input target (MTNR1A): Melatonin receptor type 1A
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 (MTNR1A): Melatonin receptor type 1A
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 23.3%
2 Approved;
Investigational		 SmallMoleculeDrug DB00328 Indomethacin Thumb 20.1%
3 Experimental SmallMoleculeDrug DB08744 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one Thumb 19.8%
4 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB04272 Citric Acid Thumb 19.1%
5 Approved SmallMoleculeDrug DB01087 Primaquine Thumb 18.8%
6 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb 17.9%
7 Approved;
Nutraceutical		 SmallMoleculeDrug DB00117 Histidine Thumb 17.9%
8 Investigational SmallMoleculeDrug DB05147 CYT997 Thumb 17.8%
9 Experimental SmallMoleculeDrug DB08190 N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide Thumb 17.8%
10 Approved;
Investigational		 SmallMoleculeDrug DB00334 Olanzapine Thumb 17.6%
11 Investigational BiotechDrug DB06245 Lanoteplase Thumb 17.5%
12 Experimental SmallMoleculeDrug DB07754 N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid Thumb 17.5%
13 Approved SmallMoleculeDrug DB04855 Dronedarone Thumb 17.3%
14 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 17.2%
15 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 17.2%
16 Approved;
Investigational		 SmallMoleculeDrug DB06712 Nilvadipine Thumb 16.6%
17 Approved SmallMoleculeDrug DB00381 Amlodipine Thumb 16.3%
18 Investigational SmallMoleculeDrug DB06530 Resiquimod Thumb 16.3%
19 Approved SmallMoleculeDrug DB00408 Loxapine Thumb 16.1%
20 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 16.0%


  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.