Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 5/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4414111 | 0.82 | PRKCI (0.65) | PRKCICYP2A6CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2368653 | 0.81 | PRKCI (0.69) | PRKCICYP2A6CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28280395 | 0.76 | HSD17B1 (0.44) | PRKCICYP2A6CYP2C9CYP2C19KDM4E | |
| SCHEMBL28883999 | 0.76 | HSD17B1 (0.44) | PRKCICYP2A6CYP2C9CYP2C19KDM4E | |
| SCHEMBL28280412 | 0.76 | ALDH1A1 (0.52) | CYP2A6CYP2C9CYP2C19KDM4ENPC1 | |
| SCHEMBL20772264 | 0.75 | PTGS2 (0.44) | PRKCICYP2A6CYP2C9CYP2C19KDM4E | |
| SCHEMBL18071256 | 0.75 | SLC5A2 (0.58) | PRKCICYP2A6CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL27968344 | 0.75 | TP53 (0.51) | PRKCIKDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL1692333 | 0.74 | SMN1; SMN2 (0.49) | CYP2A6CYP2C9CYP2C19KDM4ENPC1 | |
| SCHEMBL12581415 | 0.73 | HSD17B1 (0.63) | CYP2C9CYP2C19CYP2D6KDM4ENPC1 |
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 |