Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 16/20 | 0.59 |
| ▸ | PDE4A | P27815 | 12/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 12/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 12/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 12/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4206667 | 0.89 | CYP2C9 (0.76) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5796841 | 0.83 | CYP2C9 (0.53) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5775833 | 0.82 | CYP2C9 (0.62) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5800710 | 0.77 | CYP2C9 (0.52) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4198647 | 0.76 | CYP2C9 (0.85) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4203339 | 0.76 | CYP2C9 (0.85) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5777993 | 0.76 | CYP2C9 (0.48) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4213204 | 0.76 | CYP2C9 (0.77) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13947412 | 0.76 | PDE4A (0.56) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5255553 | 0.75 | CYP2C9 (1.00) | 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 |