Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.49 |
| ▸ | MAPT | P10636 | 8/20 | 0.49 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 6/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 6/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.49 |
| ▸ | ABCC4 | O15439 | 3/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.49 |
| ▸ | MTOR | P42345 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7265996 | 0.95 | ADORA3 (0.59) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7264462 | 0.87 | ADORA3 (0.65) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7273289 | 0.85 | ADORA3 (0.53) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7273466 | 0.85 | CYP1A2 (0.45) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10860917 | 0.84 | ADORA3 (0.65) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7273520 | 0.82 | ADORA3 (0.63) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10858643 | 0.82 | CYP1A2 (0.59) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7264320 | 0.82 | ADORA3 (0.57) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7264322 | 0.82 | ADORA3 (0.57) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7264533 | 0.82 | ADORA3 (0.57) | ADORA3CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4578395-A | Certain aralkylaminoalkyl esters of 1,4 dihydropyridines as antihypertensive | TEIJIN LIMITED (JP) | 1986-03-25 | — | — | US | disclosed |
| EP-0128010-A2 | 1,4-Dihydropyridine derivative, process for production thereof and pharmaceutical use thereof | TEIJIN LIMITED (JP) | 1984-12-12 | — | — | EP | disclosed |