QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: Q13133
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1H3 Q13133 Oxysterols receptor LXR-alpha hsa03320; hsa04931; hsa04932; hsa05160 1UHL; 3IPQ; 3IPS; 3IPU; 5AVI; 5AVL


6 known interactions (drugs) of input target (NR1H3): Oxysterols receptor LXR-alpha
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08063 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE Thumb
2 Experimental SmallMoleculeDrug DB08175 (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB11994 Diacerein Thumb
4 Experimental SmallMoleculeDrug DB07929 N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE Thumb
5 Experimental SmallMoleculeDrug DB13174 Rhein Thumb
6 Experimental SmallMoleculeDrug DB07080 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE Thumb


20 predicted interactions (drugs) of input target (NR1H3): Oxysterols receptor LXR-alpha
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 28.0%
2 Experimental SmallMoleculeDrug DB07082 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL Thumb 24.8%
3 Experimental SmallMoleculeDrug DB08402 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID Thumb 22.2%
4 Experimental SmallMoleculeDrug DB03848 Benzenesulfinic acid Thumb 21.7%
5 Experimental SmallMoleculeDrug DB03791 (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid Thumb 21.1%
6 Approved;
Investigational		 SmallMoleculeDrug DB01109 Heparin Thumb 19.8%
7 Experimental SmallMoleculeDrug DB07863 2-chloro-5-nitro-N-phenylbenzamide Thumb 19.7%
8 Approved SmallMoleculeDrug DB00675 Tamoxifen Thumb 19.5%
9 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb 19.3%
10 Approved;
Investigational		 SmallMoleculeDrug DB06603 Panobinostat Thumb 19.1%
11 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB13956 Estradiol valerate Thumb 18.1%
12 Investigational SmallMoleculeDrug DB07425 Sobetirome Thumb 18.0%
13 Experimental SmallMoleculeDrug DB01941 6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid Thumb 17.9%
14 Experimental SmallMoleculeDrug DB08342 S-PALMITOYL-L-CYSTEINE Thumb 17.7%
15 Approved;
Withdrawn		 SmallMoleculeDrug DB04824 Phenolphthalein Thumb 16.7%
16 Approved BiotechDrug DB10770 Foreskin fibroblast (neonatal) Thumb 16.5%
17 Approved;
Investigational		 SmallMoleculeDrug DB00412 Rosiglitazone Thumb 16.4%
18 Approved;
Investigational		 SmallMoleculeDrug DB00313 Valproic Acid Thumb 16.4%
19 Experimental SmallMoleculeDrug DB07932 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate Thumb 16.2%
20 Approved BiotechDrug DB00098 Antithymocyte immunoglobulin (rabbit) Thumb 16.0%


  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.