Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 16/20 | 0.81 |
| ▸ | PDE4A | P27815 | 9/20 | 0.63 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.63 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL4207874 | 0.97 | CYP2C9 (0.86) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4204785 | 0.95 | CYP2C9 (0.89) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4210873 | 0.92 | CYP2C9 (0.81) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5256108 | 0.90 | CYP2C9 (1.00) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4217149 | 0.90 | CYP2C9 (0.75) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5255136 | 0.89 | CYP2C9 (0.77) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5255896 | 0.89 | CYP2C9 (0.83) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4211399 | 0.89 | CYP2C9 (0.83) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5255553 | 0.89 | CYP2C9 (1.00) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4211424 | 0.89 | CYP2C9 (0.76) | 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 2 patents. 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 | disclosed |
| US-7153968-B2 | 8-(biaryl)quinoline PDE4 inhibitors | MERCK FROSST CANADA, LTD. (CA) | 2006-12-26 | — | — | US | disclosed |