Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL601717 | 0.91 | GPBAR1 (0.42) | GPBAR1PTGER3GAAKMT2A | |
| SCHEMBL604242 | 0.86 | GPBAR1 (0.43) | GPBAR1PTGER3SCN9A | |
| SCHEMBL604747 | 0.84 | GPBAR1 (0.37) | GPBAR1GAAKDM4EALDH1A1TP53 | |
| SCHEMBL603223 | 0.84 | GPBAR1 (0.51) | GPBAR1 | |
| SCHEMBL602966 | 0.83 | GPBAR1 (0.42) | GPBAR1PTGER3 | |
| SCHEMBL601957 | 0.82 | GPBAR1 (0.45) | GPBAR1PTGER3 | |
| SCHEMBL601807 | 0.82 | GPBAR1 (0.45) | GPBAR1PTGER3 | |
| SCHEMBL601111 | 0.82 | GPBAR1 (0.45) | GPBAR1PTGER3 | |
| SCHEMBL602798 | 0.82 | GPBAR1 (0.44) | GPBAR1PTGER3 | |
| SCHEMBL603663 | 0.81 | GPBAR1 (0.44) | GPBAR1PTGER3 |
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 |