Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.71 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | ADK | P55263 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4723343 | 0.83 | CYP1A2 (0.88) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL4723390 | 0.83 | CYP2D6 (1.00) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL14599590 | 0.82 | CYP1A2 (0.70) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL6941842 | 0.81 | CYP1A2 (0.73) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL12462292 | 0.81 | CYP1A2 (0.72) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL6002465 | 0.80 | CYP2D6 (0.91) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL3407136 | 0.79 | CYP1A2 (0.76) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL722191 | 0.78 | NISCH (0.78) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL15764580 | 0.75 | CYP1A2 (0.65) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 | |
| Methyl Alcohol SCHEMBL10336733 | 0.75 | CYP1A2 (0.69) | CYP3A4CYP2D6CYP1A2CYP19A1CYP2C9 |
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-0775689-B9 | NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC | C & C RES LABS (KR) | 2004-09-15 | — | — | EP | disclosed |
| EP-0775689-B1 | NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC | C & C RES LABS (KR) | 2003-09-03 | — | — | EP | disclosed |