Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 19/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13259117 | 0.90 | GPBAR1 (0.52) | GPBAR1NR1H4KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL600972 | 0.87 | GPBAR1 (0.56) | GPBAR1NR1H4KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL601196 | 0.87 | GPBAR1 (0.60) | GPBAR1NR1H4KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL602062 | 0.86 | GPBAR1 (0.57) | GPBAR1NR1H4 | |
| SCHEMBL13259271 | 0.85 | GPBAR1 (0.48) | GPBAR1NR1H4 | |
| SCHEMBL13259075 | 0.85 | GPBAR1 (0.70) | GPBAR1 | |
| SCHEMBL13259241 | 0.85 | GPBAR1 (0.60) | GPBAR1NR1H4 | |
| SCHEMBL604711 | 0.85 | GPBAR1 (0.53) | GPBAR1NR1H4KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL602844 | 0.84 | GPBAR1 (0.55) | GPBAR1NR1H4KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL10227731 | 0.84 | GPBAR1 (0.56) | GPBAR1NR1H4KDM4ERAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |