Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 17/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 17/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 17/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 17/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 14/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6606003 | 0.90 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5779536 | 0.87 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6603887 | 0.87 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6180745 | 0.84 | CYP2C9 (0.64) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6605103 | 0.84 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6603202 | 0.83 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5779814 | 0.82 | CYP2C9 (0.42) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6634532 | 0.82 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6605585 | 0.81 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6218820 | 0.80 | CYP2C9 (0.47) | 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-1404330-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003002118-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-01-09 | — | — | WO | disclosed |