Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10488162 | 0.79 | CYP3A4 (0.41) | CYP3A4CYP2C9ITKCYP2D6CYP2C19 | |
| SCHEMBL18608233 | 0.72 | KCNH2 (0.51) | CYP3A4CYP2C9ITKCYP2D6CYP2C19 | |
| SCHEMBL29084200 | 0.71 | APP (0.53) | CYP3A4CYP2C9CYP2D6CYP2C19KCNH2 | |
| SCHEMBL25864597 | 0.71 | CYP3A4 (0.41) | CYP3A4CYP2C9ITKCYP2D6CYP2C19 | |
| SCHEMBL17729351 | 0.71 | APP (0.53) | CYP3A4CYP2C9CYP2D6CYP2C19KCNH2 | |
| SCHEMBL12016065 | 0.71 | LMNA (0.46) | CYP3A4CYP2C9CYP2D6CYP2C19PTGES | |
| SCHEMBL13487236 | 0.70 | APP (0.41) | CYP3A4CYP2C9ITKBACE1 | |
| SCHEMBL5992655 | 0.70 | ALDH1A1 (0.38) | CYP3A4CYP2C9ITKCYP2D6CYP2C19 | |
| SCHEMBL8349426 | 0.70 | CYP2C19 (0.52) | CYP3A4CYP2C9CYP2D6CYP2C19KCNH2 | |
| SCHEMBL19629593 | 0.69 | CYP2A6 (0.47) | CYP3A4CYP2C9CYP2D6CYP2C19EGLN1 |
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-4853382-A | TREATING ASTHMA AND BRONCHITIS | GLAXO GROUP LIMITED (GB) | 1989-08-01 | — | — | US | disclosed |
| EP-0178919-B1 | AMINOPHENOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1988-12-21 | — | — | EP | disclosed |
| US-4730008-A | STIMULANT FOR BETA-ADRENORECEPTORS | GLAXO GROUP LIMITED (GB) | 1988-03-08 | — | — | US | disclosed |
| EP-0178919-A2 | Aminophenol derivatives | GLAXO GROUP LIMITED (GB) | 1986-04-23 | — | — | EP | disclosed |