Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 13/20 | 0.75 |
| ▸ | PDE4A | P27815 | 8/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258663 | 0.87 | CYP2C9 (0.70) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5256891 | 0.87 | CYP2C9 (0.73) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5256036 | 0.86 | CYP2C9 (1.00) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5256288 | 0.84 | CYP2C9 (0.64) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4210873 | 0.83 | CYP2C9 (0.81) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4201616 | 0.82 | CYP2C9 (0.67) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5261689 | 0.81 | CYP2C9 (0.76) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5258288 | 0.81 | CYP2C9 (0.81) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5255136 | 0.80 | CYP2C9 (0.77) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4204785 | 0.80 | CYP2C9 (0.89) | 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 3 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 |
| EP-1517895-A1 | 8-(BIARYL) QUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000814-A1 | 8-(BIARYL) QUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-12-31 | — | — | WO | disclosed |