Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 6/20 | 0.51 |
| ▸ | MAOB | P27338 | 4/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.50 |
| ▸ | CHKA | P35790 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.44 |
| ▸ | ME2 | P23368 | 1/20 | 0.44 |
| ▸ | ME1 | P48163 | 1/20 | 0.44 |
| ▸ | ME3 | Q16798 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4418944 | 0.85 | CD274 (0.50) | EPHX2HDAC4HDAC6ME2ME1 | |
| SCHEMBL13422247 | 0.80 | HRH3 (0.49) | KDM1AMAOBMAOASTAT3CHKA | |
| SCHEMBL5464853 | 0.78 | MEN1 (0.70) | HRH3EPHX2HDAC6TEAD1KCNH2 | |
| SCHEMBL2347188 | 0.76 | KDM1A (0.81) | KDM1AMAOBMAOA | |
| SCHEMBL2347192 | 0.76 | KDM1A (0.81) | KDM1AMAOBMAOA | |
| Hydrochloric Acid SCHEMBL2362333 | 0.75 | KDM1A (0.80) | KDM1AMAOBMAOA | |
| Hydrochloric Acid SCHEMBL2362332 | 0.75 | KDM1A (0.80) | KDM1AMAOBMAOA | |
| SCHEMBL9295648 | 0.74 | KIF11 (0.51) | KDM1AMAOB | |
| SCHEMBL4414052 | 0.74 | LSS (0.49) | KDM1AHDAC4 | |
| SCHEMBL1221225 | 0.74 | CYP2C9 (0.52) | — |
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 |