Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9685664 | 0.84 | HRH2 (0.57) | HRH2HRH3CYP2D6CYP2C9HIF1A | |
| SCHEMBL9772076 | 0.83 | HRH2 (0.58) | HRH2HRH3CYP2D6CYP2C9HIF1A | |
| SCHEMBL9133749 | 0.80 | HRH3 (0.53) | HRH2HRH3CYP2D6CYP2C9HIF1A | |
| SCHEMBL13574528 | 0.75 | HRH2 (0.56) | HRH2HRH3CYP2D6CYP2C9HIF1A | |
| SCHEMBL21765955 | 0.75 | KMT2A (0.50) | HRH2HRH3CYP2D6CYP2C9HIF1A | |
| SCHEMBL29882992 | 0.75 | HDAC6 (0.43) | KDM4EALDH1A1 | |
| SCHEMBL13004090 | 0.74 | ALDH1A1 (0.60) | CYP2D6CYP2C9HIF1APRMT6SIGMAR1 | |
| SCHEMBL11258143 | 0.73 | HRH2 (0.60) | HRH2HRH3 | |
| SCHEMBL3162705 | 0.73 | SIGMAR1 (0.79) | HRH3SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL28355903 | 0.73 | SIGMAR1 (0.63) | HRH3SIGMAR1KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0160451-A2 | Dihydropyridine-3,5-dicarboxylic acid ester derivative isomers, their preparation, and pharmaceutical compositions containing them | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1985-11-06 | — | — | EP | claimed |
| US-5616715-A | SEPARATION OF STEREOISOMERS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-04-01 | — | — | US | disclosed |
| US-5463064-A | Vasodilating and hypotensive activity | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-10-31 | — | — | US | disclosed |