Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL604632 | 0.92 | GPBAR1 (0.62) | GPBAR1NR1H4 | |
| SCHEMBL602762 | 0.90 | GPBAR1 (0.67) | GPBAR1NR1H4 | |
| SCHEMBL605076 | 0.89 | GPBAR1 (0.62) | GPBAR1NR1H4 | |
| SCHEMBL601919 | 0.88 | GPBAR1 (0.65) | GPBAR1NR1H4 | |
| SCHEMBL10274600 | 0.87 | GPBAR1 (0.70) | GPBAR1NR1H4 | |
| SCHEMBL600930 | 0.87 | GPBAR1 (0.68) | GPBAR1NR1H4 | |
| SCHEMBL603827 | 0.87 | GPBAR1 (0.58) | GPBAR1NR1H4 | |
| SCHEMBL603828 | 0.87 | GPBAR1 (0.58) | GPBAR1NR1H4 | |
| SCHEMBL13270252 | 0.87 | GPBAR1 (0.69) | GPBAR1NR1H4 | |
| SCHEMBL603325 | 0.86 | GPBAR1 (0.71) | 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 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 | disclosed |
| 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 | disclosed |