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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: Q16602
No. Gene UniProt ID Protein Name Pathway PDB
1 CALCRL Q16602 Calcitonin gene-related peptide type 1 receptor hsa04080; hsa04270 3AQF; 3N7P; 3N7R; 3N7S; 4RWF; 4RWG


3 known interactions (drugs) of input target (CALCRL): Calcitonin gene-related peptide type 1 receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB12228 Telcagepant Thumb
2 Approved;
Investigational		 BiotechDrug DB14039 Erenumab Thumb
3 Investigational SmallMoleculeDrug DB04869 Olcegepant Thumb


20 predicted interactions (drugs) of input target (CALCRL): Calcitonin gene-related peptide type 1 receptor
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational BiotechDrug DB14040 Eptinezumab Thumb 33.3%
2 Investigational BiotechDrug DB14042 Galcanezumab Thumb 32.0%
3 Investigational BiotechDrug DB14041 Fremanezumab Thumb 30.1%
4 Approved;
Nutraceutical		 SmallMoleculeDrug DB00123 L-Lysine Thumb 21.6%
5 Approved;
Investigational		 SmallMoleculeDrug DB08813 Nadroparin Thumb 19.3%
6 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb 17.5%
7 Approved;
Nutraceutical		 SmallMoleculeDrug DB00139 Succinic acid Thumb 16.5%
8 Approved SmallMoleculeDrug DB06637 Dalfampridine Thumb 16.2%
9 Approved;
Withdrawn		 SmallMoleculeDrug DB00534 Chlormerodrin Thumb 15.9%
10 Approved;
Nutraceutical		 SmallMoleculeDrug DB00125 L-Arginine Thumb 15.0%
11 Approved;
Vet approved		 SmallMoleculeDrug DB08818 Hyaluronic acid Thumb 14.9%
12 Investigational SmallMoleculeDrug DB05428 motexafin gadolinium Thumb 14.9%
13 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00720 Clodronic Acid Thumb 14.0%
14 Experimental SmallMoleculeDrug DB01752 S-adenosyl-L-homocysteine Thumb 13.6%
15 Experimental SmallMoleculeDrug DB08365 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide Thumb 13.5%
16 Approved SmallMoleculeDrug DB06212 Tolvaptan Thumb 13.4%
17 Approved;
Investigational		 SmallMoleculeDrug DB09034 Suvorexant Thumb 12.9%
18 Investigational SmallMoleculeDrug DB06194 Elocalcitol Thumb 12.8%
19 Experimental SmallMoleculeDrug DB07954 3-isobutyl-1-methyl-7H-xanthine Thumb 12.5%
20 Approved;
Investigational		 SmallMoleculeDrug DB00872 Conivaptan Thumb 12.3%


  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.