Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 16/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 16/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 16/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 16/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6265109 | 0.87 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5777035 | 0.85 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5776846 | 0.85 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5779959 | 0.83 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5776147 | 0.82 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5780045 | 0.82 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6220354 | 0.81 | CYP2C9 (0.49) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5779221 | 0.80 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6219992 | 0.80 | CYP2C9 (0.52) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5776376 | 0.80 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DCYP2C9 |
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 |