Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 16/20 | 0.83 |
| ▸ | PDE4B | Q07343 | 16/20 | 0.83 |
| ▸ | PDE4C | Q08493 | 16/20 | 0.83 |
| ▸ | PDE4D | Q08499 | 16/20 | 0.83 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5144748 | 0.91 | PDE4A (0.84) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4027330 | 0.91 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DAKR1C3 | |
| SCHEMBL4027337 | 0.91 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DAKR1C3 | |
| SCHEMBL5266881 | 0.90 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL5144470 | 0.89 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL7449050 | 0.85 | PDE4A (0.77) | PDE4APDE4BPDE4CPDE4DAKR1C3 | |
| SCHEMBL5144399 | 0.84 | PDE4A (0.84) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL6603435 | 0.84 | PDE4A (0.75) | PDE4APDE4BPDE4CPDE4DAKR1C3 | |
| SCHEMBL6987316 | 0.84 | PDE4A (0.75) | PDE4APDE4BPDE4CPDE4DAKR1C3 | |
| SCHEMBL5777013 | 0.82 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363635-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | Merck & Co., Inc. (US) | 2003-11-26 | — | — | EP | disclosed |
| EP-1244628-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| WO-2002069970-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | MERCK & CO., INC. (US) | 2002-09-12 | — | — | WO | disclosed |
| WO-2001046151-A1 | SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |