Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.69 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | HPGD | P15428 | 3/20 | 0.69 |
| ▸ | MAPT | P10636 | 3/20 | 0.69 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434919 | 0.96 | CYP2C9 (0.65) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL820019 | 0.88 | KDM4E (0.78) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL30872863 | 0.88 | KDM4E (0.78) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL29663663 | 0.88 | KDM4E (0.78) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL7429254 | 0.87 | CYP2C9 (0.64) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL7428857 | 0.87 | CYP2C9 (0.64) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL28376154 | 0.87 | KDM4E (0.76) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL10766759 | 0.87 | KDM4E (0.54) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL10933425 | 0.87 | CYP2C9 (0.65) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 | |
| SCHEMBL7429689 | 0.86 | CYP2C9 (0.72) | CYP2C9KDM4ECYP3A4ABCB11ADORA3 |
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 |