Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 19/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 19/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 19/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 19/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 13/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6608610 | 0.90 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6608930 | 0.89 | PDE4A (0.72) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5777015 | 0.87 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6604380 | 0.86 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6608363 | 0.86 | PDE4A (0.72) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6608631 | 0.85 | PDE4A (0.63) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6605655 | 0.85 | PDE4A (0.72) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6607042 | 0.85 | PDE4A (0.75) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6180964 | 0.84 | CYP2C9 (0.79) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6604747 | 0.83 | PDE4A (0.66) | 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 |