Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 15/20 | 0.53 |
| ▸ | PDE4A | P27815 | 11/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 11/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 11/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 11/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4208681 | 0.90 | CYP2C9 (0.68) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5778508 | 0.83 | CYP2C9 (0.59) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5800395 | 0.81 | CYP2C9 (0.39) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4205948 | 0.80 | CYP2C9 (0.67) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4213223 | 0.79 | CYP2C9 (0.68) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4212087 | 0.79 | CYP2C9 (0.65) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4207487 | 0.79 | CYP2C9 (0.73) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4211419 | 0.79 | CYP2C9 (0.54) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4204141 | 0.79 | CYP2C9 (0.67) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4204131 | 0.78 | CYP2C9 (0.64) | 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 | disclosed |
| WO-2004096220-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2004-11-11 | — | — | WO | disclosed |