Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 8/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5779447 | 0.88 | PDE4A (0.47) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5773582 | 0.86 | CYP2C9 (0.47) | CYP2C9MAPK14PDE4APDE4BPDE4C | |
| SCHEMBL5776443 | 0.85 | PDE4A (0.45) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5779973 | 0.84 | CYP2C9 (0.42) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5813766 | 0.84 | PDE4A (0.51) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5776493 | 0.83 | PDE4A (0.46) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5776217 | 0.83 | MAPK14 (0.43) | CYP2C9MAPK14PDE4APDE4BPDE4C | |
| SCHEMBL5776143 | 0.83 | CYP2C9 (0.50) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4201616 | 0.82 | CYP2C9 (0.67) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5778745 | 0.77 | PDE4A (0.52) | 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 4 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 |
| 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 |