Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 18/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 17/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 17/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 17/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6637505 | 0.89 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6676952 | 0.87 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6634457 | 0.86 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6636787 | 0.83 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6679555 | 0.83 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL13849023 | 0.83 | CYP2C9 (0.49) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4040596 | 0.83 | CYP2C9 (0.63) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5778750 | 0.82 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6681311 | 0.80 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6608672 | 0.80 | PDE4A (0.49) | 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-1487797-A1 | HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003078397-A1 | HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-25 | — | — | WO | disclosed |