Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 11/20 | 0.44 |
| ▸ | PDE4A | P27815 | 9/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL5776217 | 0.92 | MAPK14 (0.43) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5776844 | 0.91 | CYP2C9 (0.52) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5779810 | 0.89 | CYP2C9 (0.42) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5779083 | 0.87 | PDE4A (0.53) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5777635 | 0.87 | PDE4A (0.43) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5779385 | 0.86 | PDE4A (0.40) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5777032 | 0.85 | CYP2C9 (0.52) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5776443 | 0.85 | PDE4A (0.45) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5779973 | 0.83 | CYP2C9 (0.42) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5776493 | 0.83 | PDE4A (0.46) | 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-1635829-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2006-03-22 | — | — | EP | claimed |
| WO-2004096220-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2004-11-11 | — | — | WO | claimed |