Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL13604905 | 0.73 | TRPA1 (0.33) | CYP2C9 | |
| SCHEMBL14602869 | 0.71 | HPGD (0.36) | ALDH1A1KDM4EHPGD | |
| SCHEMBL17265808 | 0.71 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDMAPK14RXFP1 | |
| SCHEMBL14104382 | 0.69 | HPGD (0.47) | ALDH1A1KDM4EHPGDCDK2 | |
| SCHEMBL18118981 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP2C9 | |
| SCHEMBL13604903 | 0.68 | CYP3A4 (0.33) | — | |
| SCHEMBL12689500 | 0.67 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDCYP2C9 | |
| SCHEMBL22941285 | 0.67 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDRXFP1CDK2 | |
| SCHEMBL13405587 | 0.67 | — | — | |
| SCHEMBL18371494 | 0.67 | KDM4E (0.40) | ALDH1A1KDM4EHPGDMAPK14RXFP1 |
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-7638530-B2 | 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents | MERCK & CO., INC. (US) | 2009-12-29 | — | — | US | disclosed |