Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 20/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4419455 | 0.93 | PLA2G7 (0.87) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4422099 | 0.90 | PLA2G7 (1.00) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4412887 | 0.89 | PLA2G7 (0.99) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4426154 | 0.89 | PLA2G7 (1.00) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4415493 | 0.87 | PLA2G7 (0.85) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4416549 | 0.87 | PLA2G7 (1.00) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4414087 | 0.86 | PLA2G7 (1.00) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4415555 | 0.86 | PLA2G7 (1.00) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5867426 | 0.86 | PLA2G7 (0.99) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4412504 | 0.85 | PLA2G7 (1.00) | PLA2G7CYP3A4CYP1A2CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1479671-B1 | Pyrimidinone compounds | SMITHKLINE BEECHAM PLC (GB) | 2009-05-27 | — | — | EP | disclosed |
| US-7115616-B2 | Pyrimidinone compounds | SMITHKLINE BEECHAM PLC (GB) | 2006-10-03 | — | — | US | disclosed |
| US-6953803-B1 | 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-10-11 | — | — | US | disclosed |