Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 15/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 15/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 15/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 15/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033865 | 0.83 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4033871 | 0.83 | PDE4A (0.76) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5266729 | 0.81 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL7090327 | 0.79 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL7451912 | 0.76 | PDE4A (0.65) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL13849047 | 0.76 | CYP2C9 (0.48) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL13849070 | 0.73 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4035330 | 0.72 | PDE4A (0.81) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4035326 | 0.72 | PDE4A (0.81) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL7088307 | 0.71 | PDE4A (0.64) | 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-1244628-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001046151-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |