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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: P55055
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1H2 P55055 Oxysterols receptor LXR-beta hsa04931 1P8D; 1PQ6; 1PQ9; 1PQC; 1UPV; 1UPW; 3KFC; 3L0E; 4DK7; 4DK8; 4NQA; 4RAK


6 known interactions (drugs) of input target (NR1H2): Oxysterols receptor LXR-beta
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB11994 Diacerein Thumb
2 Experimental SmallMoleculeDrug DB07082 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL Thumb
3 Experimental SmallMoleculeDrug DB03791 (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid Thumb
4 Experimental SmallMoleculeDrug DB13174 Rhein Thumb
5 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb
6 Experimental SmallMoleculeDrug DB03848 Benzenesulfinic acid Thumb


20 predicted interactions (drugs) of input target (NR1H2): Oxysterols receptor LXR-beta
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB08175 (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID Thumb 30.0%
2 Experimental SmallMoleculeDrug DB07929 N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE Thumb 25.4%
3 Experimental SmallMoleculeDrug DB08063 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE Thumb 25.2%
4 Approved;
Investigational		 SmallMoleculeDrug DB03247 Flavin mononucleotide Thumb 22.6%
5 Approved SmallMoleculeDrug DB06637 Dalfampridine Thumb 20.7%
6 Approved;
Nutraceutical		 SmallMoleculeDrug DB00133 Serine Thumb 20.2%
7 Experimental SmallMoleculeDrug DB08342 S-PALMITOYL-L-CYSTEINE Thumb 19.1%
8 Approved SmallMoleculeDrug DB03754 Tromethamine Thumb 18.4%
9 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB04224 Oleic Acid Thumb 18.1%
10 Approved;
Investigational		 SmallMoleculeDrug DB01254 Dasatinib Thumb 18.1%
11 Experimental SmallMoleculeDrug DB04491 Diisopropylphosphono Group Thumb 17.4%
12 Approved;
Vet approved		 SmallMoleculeDrug DB01221 Ketamine Thumb 17.3%
13 Approved;
Vet approved		 SmallMoleculeDrug DB00945 Acetylsalicylic acid Thumb 17.1%
14 Approved;
Investigational		 SmallMoleculeDrug DB01109 Heparin Thumb 16.7%
15 Investigational SmallMoleculeDrug DB05223 Pracinostat Thumb 16.5%
16 Experimental SmallMoleculeDrug DB02458 S-(2,4-dinitrophenyl)glutathione Thumb 16.3%
17 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00163 Vitamin E Thumb 16.1%
18 Approved;
Vet approved		 SmallMoleculeDrug DB09140 Oxygen Thumb 16.1%
19 Experimental SmallMoleculeDrug DB01863 Inositol 1,3,4,5-Tetrakisphosphate Thumb 15.8%
20 Approved;
Investigational		 SmallMoleculeDrug DB03085 Glycolic acid Thumb 15.8%


  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.