Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | LMNA | P02545 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.55 |
| ▸ | THPO | P40225 | 3/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7343958 | 0.94 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7343694 | 0.84 | ADORA3 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7347850 | 0.83 | MAPT (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7349484 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7346357 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7341268 | 0.80 | ALOX15 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7341772 | 0.78 | CACNA1F (0.62) | ADORA3TSHRCACNA1CSCN5ACACNA1F | |
| SCHEMBL7347753 | 0.78 | KDM4E (0.52) | CYP3A4ADORA3MAPTTSHRCACNA1C | |
| SCHEMBL7344600 | 0.78 | KDM4E (0.68) | CYP1A2CYP3A4CYP2C9CYP2C19ADORA3 | |
| SCHEMBL7340135 | 0.78 | CACNA1C (0.41) | 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-4652573-A | HYPOTENSIVE AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1987-03-24 | — | — | US | claimed |
| US-4833150-A | HYPOTENSIVES, ANTIARRHYTHMIA AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1989-05-23 | — | — | US | disclosed |
| US-4652573-A | HYPOTENSIVE AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0194685-A1 | 1,4-Dihydropyridines | Whitby Research Incorporated (US) | 1986-09-17 | — | — | EP | disclosed |