Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 18/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2218912 | 0.86 | GPBAR1 (0.80) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3150474 | 0.79 | GPBAR1 (0.63) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2217335 | 0.78 | GPBAR1 (0.76) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3142921 | 0.76 | GPBAR1 (0.59) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3142750 | 0.73 | GPBAR1 (0.74) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3142383 | 0.73 | GPBAR1 (0.65) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3150560 | 0.72 | GPBAR1 (0.54) | GPBAR1 | |
| SCHEMBL3145125 | 0.72 | GPBAR1 (0.64) | GPBAR1CYP3A4CYP2C9 | |
| SCHEMBL3146348 | 0.71 | GPBAR1 (0.70) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3141311 | 0.71 | GPBAR1 (0.66) | GPBAR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2526096-B1 | 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2015-04-22 | — | — | EP | claimed |