Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | UBE2N | P61088 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2644044 | 0.95 | CASP3 (0.87) | CASP3CYP1A2CYP2C19ADRA1DADRA1A | |
| SCHEMBL11167209 | 0.91 | CASP3 (0.67) | CASP3ADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL13442861 | 0.88 | CASP3 (1.00) | CASP3CYP1A2CYP2C19ADRA1DADRA1A | |
| SCHEMBL1691386 | 0.87 | CASP3 (0.68) | CASP3ADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL4424839 | 0.84 | CES2 (0.61) | CASP3ADRA1DADRA1AADRA1BCA12 | |
| SCHEMBL6287318 | 0.83 | RPS6KA2 (0.58) | CASP3ADRA1DADRA1AADRA1BHPGD | |
| SCHEMBL4417314 | 0.82 | CASP3 (0.59) | CASP3CYP1A2CYP2C19ADRA1DADRA1A | |
| SCHEMBL4415503 | 0.82 | CHRM5 (0.65) | CASP3ADRA1DADRA1AADRA1BCA12 | |
| SCHEMBL28737144 | 0.80 | UBE2N (0.81) | CASP3CYP1A2CYP2C19LMNAHPGD | |
| SCHEMBL6308198 | 0.80 | CASP3 (0.56) | CASP3CYP1A2CYP2C19ADRA1DADRA1A |
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 |