Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 14/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 4/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.44 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5262206 | 0.86 | CYP2C9 (0.55) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5257729 | 0.85 | CYP2C9 (0.69) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5262925 | 0.85 | CYP2C9 (0.54) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5258431 | 0.84 | CYP2C9 (0.49) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5257793 | 0.84 | CYP2C9 (0.74) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5260138 | 0.84 | CYP2C9 (0.69) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5259110 | 0.83 | CYP2C9 (0.69) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5259631 | 0.83 | CYP2C9 (0.58) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5262232 | 0.83 | CYP2C9 (0.57) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5258650 | 0.82 | CYP2C9 (0.70) | CYP2C9PDE4APDE4BPDE4CPDE4D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517895-B1 | 8-(BIARYL) QUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2007-03-14 | — | — | EP | claimed |