Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 18/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL602033 | 0.89 | GPBAR1 (0.43) | GPBAR1NR1H4 | |
| SCHEMBL3794976 | 0.87 | GPBAR1 (0.48) | GPBAR1NR1H4RORC | |
| SCHEMBL605584 | 0.86 | GPBAR1 (0.41) | GPBAR1NR1H4 | |
| SCHEMBL602078 | 0.82 | GPBAR1 (0.44) | GPBAR1NR1H4 | |
| SCHEMBL13259313 | 0.81 | GPBAR1 (0.36) | GPBAR1NR1H4 | |
| SCHEMBL601075 | 0.80 | GPBAR1 (0.42) | GPBAR1NR1H4 | |
| SCHEMBL10227887 | 0.80 | GPBAR1 (0.46) | GPBAR1NR1H4 | |
| SCHEMBL601931 | 0.78 | GPBAR1 (0.53) | GPBAR1NR1H4 | |
| SCHEMBL601054 | 0.76 | GPBAR1 (0.51) | GPBAR1NR1H4 | |
| SCHEMBL3792941 | 0.74 | GPBAR1 (0.42) | GPBAR1RORC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |