Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.56 |
| ▸ | MAPT | P10636 | 7/20 | 0.56 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.56 |
| ▸ | SCN5A | Q14524 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | THPO | P40225 | 3/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.56 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434480 | 0.91 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7425671 | 0.91 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7434250 | 0.89 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL10767938 | 0.88 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7438852 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7431189 | 0.86 | CYP2C9 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL10767151 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL10763784 | 0.84 | ADORA3 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7381462 | 0.83 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7158542 | 0.81 | CYP1A2 (0.84) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4686217-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS | FISONS PLC (GB) | 1987-08-11 | — | — | US | claimed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | claimed |
| US-4686217-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS | FISONS PLC (GB) | 1987-08-11 | — | — | US | disclosed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | disclosed |