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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: O00206
No. Gene UniProt ID Protein Name Pathway PDB
1 TLR4 O00206 Toll-like receptor 4 hsa04064; hsa04066; hsa04145; hsa04151; hsa04217; hsa04620; hsa04621; hsa05130; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05144; hsa05145; hsa05146; hsa05152; hsa05161; hsa05162; hsa05164; hsa05170; hsa05205; hsa05321; hsa05323 2Z62; 2Z63; 2Z65; 2Z66; 3FXI; 3UL7; 3UL8; 3UL9; 3ULA; 4G8A

8 known interactions (drugs) of input target (TLR4): Toll-like receptor 4
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved;
SmallMoleculeDrug DB13615 Mifamurtide Thumb
2 Investigational SmallMoleculeDrug DB05475 Golotimod Thumb
3 Approved;
SmallMoleculeDrug DB03017 Lauric Acid Thumb
4 Experimental SmallMoleculeDrug DB02767 3-Hydroxy-Myristic Acid Thumb
5 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb
6 Investigational SmallMoleculeDrug DB04933 Eritoran Thumb
7 Approved SmallMoleculeDrug DB11193 Papain Thumb
8 Approved;
Vet approved
SmallMoleculeDrug DB01183 Naloxone Thumb

20 predicted interactions (drugs) of input target (TLR4): Toll-like receptor 4
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Vet approved
SmallMoleculeDrug DB01065 Melatonin Thumb 29.3%
2 Approved;
SmallMoleculeDrug DB00126 Vitamin C Thumb 27.6%
3 Investigational;
SmallMoleculeDrug DB00171 ATP Thumb 24.9%
4 Experimental SmallMoleculeDrug DB03963 S-(Dimethylarsenic)Cysteine Thumb 24.8%
5 Approved;
SmallMoleculeDrug DB00295 Morphine Thumb 24.3%
6 Approved;
SmallMoleculeDrug DB00157 NADH Thumb 23.3%
7 Approved;
BiotechDrug DB08870 Brentuximab vedotin Thumb 21.7%
8 Approved;
BiotechDrug DB00043 Omalizumab Thumb 21.4%
9 Approved;
SmallMoleculeDrug DB00497 Oxycodone Thumb 21.2%
10 Approved;
BiotechDrug DB00028 Immune Globulin Human Thumb 21.1%
11 Approved;
Vet approved
SmallMoleculeDrug DB00396 Progesterone Thumb 20.6%
12 Nutraceutical SmallMoleculeDrug DB00116 Tetrahydrofolic acid Thumb 20.2%
13 Approved;
SmallMoleculeDrug DB03796 Palmitic Acid Thumb 19.9%
14 Experimental SmallMoleculeDrug DB03317 Heme C Thumb 18.9%
15 Approved SmallMoleculeDrug DB01611 Hydroxychloroquine Thumb 18.4%
16 Approved;
SmallMoleculeDrug DB12965 Silver Thumb 18.3%
17 Approved SmallMoleculeDrug DB01431 Allylestrenol Thumb 18.2%
18 Approved;
SmallMoleculeDrug DB02709 Resveratrol Thumb 18.0%
19 Approved;
SmallMoleculeDrug DB03085 Glycolic acid Thumb 17.8%
20 Experimental SmallMoleculeDrug DB07171 5-(2-hydroxyethyl)nonane-1,9-diol Thumb 17.7%


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.


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.