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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: P21554
No. Gene UniProt ID Protein Name Pathway PDB
1 CNR1 P21554 Cannabinoid receptor 1 hsa04015; hsa04080; hsa04714; hsa04723 1LVQ; 1LVR; 2B0Y; 2KOE


13 known interactions (drugs) of input target (CNR1): Cannabinoid receptor 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB05372 CP-945598 Thumb
2 Approved;
Illicit		 SmallMoleculeDrug DB00470 Dronabinol Thumb
3 Experimental;
Investigational		 BiotechDrug DB14009 Medical Cannabis Thumb
4 Approved;
Investigational		 SmallMoleculeDrug DB09288 Propacetamol Thumb
5 Experimental SmallMoleculeDrug DB02955 Ricinoleic Acid Thumb
6 Investigational SmallMoleculeDrug DB05201 V24343 Thumb
7 Investigational SmallMoleculeDrug DB11755 Tetrahydrocannabivarin Thumb
8 Approved;
Investigational		 SmallMoleculeDrug DB14011 Nabiximols Thumb
9 Approved;
Investigational		 SmallMoleculeDrug DB09061 Cannabidiol Thumb
10 Investigational SmallMoleculeDrug DB05750 AVE-1625 Thumb
11 Approved;
Investigational		 SmallMoleculeDrug DB00486 Nabilone Thumb
12 Approved;
Investigational		 SmallMoleculeDrug DB06155 Rimonabant Thumb
13 Investigational SmallMoleculeDrug DB05077 SLV319 Thumb


20 predicted interactions (drugs) of input target (CNR1): Cannabinoid receptor 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB14050 Cannabidivarin Thumb 47.5%
2 Experimental SmallMoleculeDrug DB11345 (S)-camphor Thumb 38.9%
3 Approved SmallMoleculeDrug DB01744 Camphor Thumb 37.7%
4 Approved;
Investigational		 SmallMoleculeDrug DB06202 Lasofoxifene Thumb 35.9%
5 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb 32.5%
6 Approved SmallMoleculeDrug DB00825 Menthol Thumb 31.5%
7 Approved;
Nutraceutical		 SmallMoleculeDrug DB14006 Choline salicylate Thumb 27.0%
8 Approved;
Nutraceutical		 SmallMoleculeDrug DB00122 Choline Thumb 26.9%
9 Approved;
Nutraceutical		 SmallMoleculeDrug DB00168 Aspartame Thumb 26.8%
10 Approved;
Experimental		 SmallMoleculeDrug DB13746 Bioallethrin Thumb 25.7%
11 Approved;
Investigational		 SmallMoleculeDrug DB09120 Zucapsaicin Thumb 24.8%
12 Approved SmallMoleculeDrug DB00370 Mirtazapine Thumb 23.5%
13 Approved;
Nutraceutical		 SmallMoleculeDrug DB00159 Icosapent Thumb 23.4%
14 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 23.3%
15 Investigational SmallMoleculeDrug DB11324 Nonivamide Thumb 23.2%
16 Approved SmallMoleculeDrug DB00915 Amantadine Thumb 22.9%
17 Experimental SmallMoleculeDrug DB04530 S,S-(2-Hydroxyethyl)Thiocysteine Thumb 22.9%
18 Approved SmallMoleculeDrug DB00316 Acetaminophen Thumb 22.6%
19 Approved SmallMoleculeDrug DB06774 Capsaicin Thumb 22.4%
20 Investigational SmallMoleculeDrug DB06515 Resiniferatoxin Thumb 22.4%


  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.