Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.43 |
| ▸ | FEN1 | P39748 | 3/20 | 0.43 |
| ▸ | RORC | P51449 | 8/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4411631 | 0.85 | PSEN1 (0.41) | KIF11ALOX5APFEN1RORCPSEN1 | |
| SCHEMBL4418262 | 0.81 | GRM2 (0.46) | GRM2AKR1C3ALDH1A1 | |
| SCHEMBL2092499 | 0.80 | KIF11 (0.57) | KIF11ALDH1A1PPARA | |
| SCHEMBL16922714 | 0.79 | APP (0.53) | APPGRM2KIF11AKR1C3AKR1C2 | |
| SCHEMBL8990889 | 0.79 | APP (0.50) | APPGRM2KIF11AKR1C3AKR1C2 | |
| SCHEMBL4421542 | 0.78 | GRM2 (0.48) | GRM2 | |
| SCHEMBL296280 | 0.78 | ALDH1A1 (0.55) | KIF11ALDH1A1MRGPRX4 | |
| SCHEMBL9318182 | 0.76 | APP (0.54) | APPGRM2KIF11AKR1C3AKR1C2 | |
| Iodide SCHEMBL31186398 | 0.76 | ALDH1A1 (0.53) | KIF11ALDH1A1MRGPRX4 | |
| SCHEMBL16841027 | 0.76 | APP (0.50) | APPGRM2KIF11AKR1C3AKR1C2 |
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 |