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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: P30542
No. Gene UniProt ID Protein Name Pathway PDB
1 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA


17 known interactions (drugs) of input target (ADORA1): Adenosine receptor A1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB01412 Theobromine Thumb
2 Investigational SmallMoleculeDrug DB12569 Tonapofylline Thumb
3 Investigational SmallMoleculeDrug DB06471 Naxifylline Thumb
4 Approved;
Investigational		 BiotechDrug DB04932 Defibrotide Thumb
5 Investigational SmallMoleculeDrug DB12670 Rolofylline Thumb
6 Approved SmallMoleculeDrug DB00277 Theophylline Thumb
7 Approved;
Investigational		 SmallMoleculeDrug DB00996 Gabapentin Thumb
8 Approved;
Investigational		 SmallMoleculeDrug DB00824 Enprofylline Thumb
9 Approved SmallMoleculeDrug DB01223 Aminophylline Thumb
10 Investigational SmallMoleculeDrug DB04954 Tecadenoson Thumb
11 Approved;
Investigational		 SmallMoleculeDrug DB00555 Lamotrigine Thumb
12 Approved SmallMoleculeDrug DB00201 Caffeine Thumb
13 Approved;
Investigational		 SmallMoleculeDrug DB09061 Cannabidiol Thumb
14 Approved SmallMoleculeDrug DB00651 Dyphylline Thumb
15 Approved;
Investigational		 SmallMoleculeDrug DB00806 Pentoxifylline Thumb
16 Approved;
Investigational		 SmallMoleculeDrug DB00640 Adenosine Thumb
17 Approved SmallMoleculeDrug DB01303 Oxtriphylline Thumb


20 predicted interactions (drugs) of input target (ADORA1): Adenosine receptor A1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved SmallMoleculeDrug DB09283 Trapidil Thumb 66.5%
2 Experimental;
Investigational		 BiotechDrug DB14009 Medical Cannabis Thumb 56.5%
3 Approved;
Investigational		 SmallMoleculeDrug DB05266 Ibudilast Thumb 47.9%
4 Approved;
Investigational		 SmallMoleculeDrug DB14011 Nabiximols Thumb 45.6%
5 Approved;
Investigational		 SmallMoleculeDrug DB00334 Olanzapine Thumb 43.0%
6 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 41.6%
7 Approved SmallMoleculeDrug DB08811 Tofisopam Thumb 40.5%
8 Approved;
Investigational		 SmallMoleculeDrug DB05219 Crisaborole Thumb 39.9%
9 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 39.0%
10 Approved;
Investigational		 SmallMoleculeDrug DB00622 Nicardipine Thumb 37.6%
11 Approved SmallMoleculeDrug DB00543 Amoxapine Thumb 37.4%
12 Approved;
Investigational		 SmallMoleculeDrug DB01088 Iloprost Thumb 36.4%
13 Approved;
Vet approved		 SmallMoleculeDrug DB00572 Atropine Thumb 35.3%
14 Approved SmallMoleculeDrug DB01427 Amrinone Thumb 34.9%
15 Investigational SmallMoleculeDrug DB05191 Atl146e Thumb 34.8%
16 Experimental SmallMoleculeDrug DB01791 Piclamilast Thumb 34.8%
17 Approved SmallMoleculeDrug DB01173 Orphenadrine Thumb 34.6%
18 Approved;
Investigational		 SmallMoleculeDrug DB00659 Acamprosate Thumb 34.6%
19 Approved;
Vet approved		 SmallMoleculeDrug DB01236 Sevoflurane Thumb 34.2%
20 Approved;
Nutraceutical		 SmallMoleculeDrug DB01956 Taurine Thumb 33.3%


  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.