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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: P00797
No. Gene UniProt ID Protein Name Pathway PDB
1 REN P00797 Renin hsa04614; hsa04924


20 known interactions (drugs) of input target (REN): Renin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Experimental SmallMoleculeDrug DB07113 (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE Thumb
2 Investigational SmallMoleculeDrug DB05203 SPP1148 Thumb
3 Approved;
Investigational
SmallMoleculeDrug DB00350 Minoxidil Thumb
4 Experimental SmallMoleculeDrug DB08099 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine Thumb
5 Experimental SmallMoleculeDrug DB03736 2-Cyclopropylmethylenepropanal Thumb
6 Experimental SmallMoleculeDrug DB01844 N,N-dimethylformamide Thumb
7 Approved;
Investigational
SmallMoleculeDrug DB09026 Aliskiren Thumb
8 Experimental SmallMoleculeDrug DB06967 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE Thumb
9 Experimental SmallMoleculeDrug DB03968 1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine Thumb
10 Experimental SmallMoleculeDrug DB03024 2-Methyl-3-(2-Aminothiazolo)Propanal Thumb
11 Experimental SmallMoleculeDrug DB07174 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE Thumb
12 Approved SmallMoleculeDrug DB00212 Remikiren Thumb
13 Experimental SmallMoleculeDrug DB02803 3-Phenyl-1,2-Propandiol Thumb
14 Experimental SmallMoleculeDrug DB07244 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE Thumb
15 Experimental SmallMoleculeDrug DB04387 1-Hydroxy-2-Amino-3-Cyclohexylpropane Thumb
16 Experimental SmallMoleculeDrug DB06899 N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE Thumb
17 Experimental SmallMoleculeDrug DB04379 N-Methyl-N-(Methylbenzyl)Formamide Thumb
18 Experimental SmallMoleculeDrug DB02296 1-Hydroxy-3-Methylbutane Thumb
19 Experimental SmallMoleculeDrug DB07059 N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE Thumb
20 Experimental SmallMoleculeDrug DB03395 Enalkiren Thumb


20 predicted interactions (drugs) of input target (REN): Renin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Nutraceutical
SmallMoleculeDrug DB00132 Alpha-Linolenic Acid Thumb 40.4%
2 Approved;
Nutraceutical
SmallMoleculeDrug DB00142 Glutamic Acid Thumb 38.1%
3 Experimental SmallMoleculeDrug DB02852 Domoic Acid Thumb 32.6%
4 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb 31.7%
5 Approved;
Investigational
SmallMoleculeDrug DB01174 Phenobarbital Thumb 30.7%
6 Approved;
Nutraceutical
SmallMoleculeDrug DB00159 Icosapent Thumb 27.3%
7 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb 25.7%
8 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb 25.2%
9 Investigational SmallMoleculeDrug DB14050 Cannabidivarin Thumb 24.3%
10 Experimental SmallMoleculeDrug DB03940 Oxamic Acid Thumb 24.1%
11 Approved;
Investigational;
Vet approved
SmallMoleculeDrug DB00720 Clodronic Acid Thumb 24.1%
12 Approved;
Investigational
SmallMoleculeDrug DB04908 Flibanserin Thumb 23.9%
13 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB00130 L-Glutamine Thumb 23.5%
14 Approved;
Investigational
SmallMoleculeDrug DB00583 L-Carnitine Thumb 22.3%
15 Experimental SmallMoleculeDrug DB03425 2s,4r-4-Methylglutamate Thumb 22.3%
16 Approved;
Investigational
SmallMoleculeDrug DB01169 Arsenic trioxide Thumb 21.8%
17 Approved SmallMoleculeDrug DB00691 Moexipril Thumb 21.5%
18 Experimental;
Illicit
SmallMoleculeDrug DB01496 Barbituric acid derivative Thumb 21.1%
19 Approved;
Investigational
SmallMoleculeDrug DB11672 Curcumin Thumb 20.8%
20 Experimental SmallMoleculeDrug DB02510 '5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine Thumb 20.6%



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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.