Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.55 |
| ▸ | SCN1A | P35498 | 3/20 | 0.55 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434487 | 0.91 | CYP1A2 (0.57) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7425673 | 0.91 | ADORA3 (0.68) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7434261 | 0.89 | CYP2C9 (0.55) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7438846 | 0.86 | CYP1A2 (0.56) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7562997 | 0.83 | CYP1A2 (0.64) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7158381 | 0.83 | ADORA3 (0.80) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7429689 | 0.81 | CYP2C9 (0.72) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7431523 | 0.81 | TBXA2R (0.54) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7430466 | 0.80 | ADORA3 (0.53) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 | |
| SCHEMBL7430547 | 0.80 | TBXA2R (0.56) | CYP1A2CYP2C9HIF1ACYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | claimed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | disclosed |