Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 19/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10274760 | 0.94 | GPBAR1 (0.43) | GPBAR1PTGS2NR1H4 | |
| SCHEMBL3791703 | 0.93 | GPBAR1 (0.47) | GPBAR1NR1H4 | |
| SCHEMBL602983 | 0.91 | GPBAR1 (0.49) | GPBAR1PTGS2NR1H4 | |
| SCHEMBL606322 | 0.90 | GPBAR1 (0.41) | GPBAR1PTGS2NR1H4 | |
| SCHEMBL15875938 | 0.90 | GPBAR1 (0.45) | GPBAR1NR1H4 | |
| SCHEMBL602107 | 0.89 | GPBAR1 (0.40) | GPBAR1 | |
| SCHEMBL605266 | 0.88 | GPBAR1 (0.43) | GPBAR1PTGS2NR1H4 | |
| SCHEMBL10229040 | 0.87 | GPBAR1 (0.45) | GPBAR1NR1H4 | |
| SCHEMBL15875815 | 0.87 | GPBAR1 (0.55) | GPBAR1NR1H4 | |
| SCHEMBL15875884 | 0.85 | GPBAR1 (0.55) | GPBAR1NR1H4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8785488-B2 | Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity | EXELIXIS PATENT COMPANY LLC (US) | 2014-07-22 | — | — | US | claimed |
| EP-2396304-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | Exelixis, Inc. (US) | 2011-12-21 | — | — | EP | claimed |
| WO-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | WO | claimed |
| US-8785488-B2 | Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity | EXELIXIS PATENT COMPANY LLC (US) | 2014-07-22 | — | — | US | disclosed |