Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8660579 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL28519732 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL14174805 | 0.69 | ALDH1A1 (0.50) | HRH3CA12CA2CA9CYP2C19 | |
| SCHEMBL5179223 | 0.67 | ALDH1A1 (0.34) | HRH3 | |
| SCHEMBL359666 | 0.63 | POLB (0.35) | — | |
| SCHEMBL19007315 | 0.63 | HTT (0.39) | HRH3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15872033 | 0.63 | SMN1; SMN2 (0.46) | HRH3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27964797 | 0.63 | ALDH1A1 (0.34) | CA12CA9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13103012 | 0.61 | HRH3 (0.47) | HRH3CYP2D6CYP2C19 | |
| SCHEMBL3707752 | 0.61 | NOS1 (0.34) | HRH3CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7598274-B2 | N-methyl-4-{4-[5-(4-chloro-3-trifluoromethylphenylcarbamoyl)-1H-pyrrol-3-yl]-phenoxy}pyridine-2-carboxamide; Raf kinases inhibitors | MERCK PATENT GMBH (DE) | 2009-10-06 | — | — | US | claimed |