Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 19/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991436 | 0.88 | PDE4A (0.38) | PDE4AKCNH2PDE4D | |
| SCHEMBL7978041 | 0.82 | PDE4A (0.53) | PDE4AKCNH2 | |
| SCHEMBL7991279 | 0.80 | PDE4A (0.33) | PDE4AKCNH2PDE4DCYP2C9CYP2C19 | |
| SCHEMBL7383406 | 0.80 | PDE4A (0.65) | PDE4AKCNH2 | |
| SCHEMBL7991120 | 0.72 | ALOX5 (0.39) | PDE4AKCNH2 | |
| SCHEMBL7991049 | 0.71 | PDE4A (0.41) | PDE4AKCNH2 | |
| SCHEMBL7989179 | 0.70 | PDE4A (0.37) | PDE4AKCNH2 | |
| SCHEMBL7367599 | 0.70 | PDE4A (0.43) | PDE4AKCNH2 | |
| SCHEMBL7977119 | 0.69 | PDE4A (0.54) | PDE4AKCNH2 | |
| SCHEMBL7990920 | 0.69 | THRB (0.35) | CYP2C9CYP2C19EPHX2CYP2J2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6180650-B1 | ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-01-30 | — | — | US | disclosed |