Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 11/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL9120134 | 0.86 | IDO1 (0.53) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL12603789 | 0.81 | KIF11 (0.49) | KIF11IDO1MAOB | |
| SCHEMBL30740899 | 0.81 | SLC6A4 (0.52) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL14409245 | 0.80 | KIF11 (0.46) | KIF11SLC6A4HTR2A | |
| SCHEMBL4417301 | 0.80 | HTR2C (0.50) | SLC6A4SLC6A2HTR2AKCNH2 | |
| SCHEMBL13906337 | 0.78 | KIF11 (0.51) | KIF11IDO1MAOB | |
| SCHEMBL14996658 | 0.77 | KIF11 (0.42) | KIF11IDO1MAOB | |
| SCHEMBL13756283 | 0.77 | IDO1 (0.51) | KIF11IDO1MAOB | |
| SCHEMBL25376751 | 0.77 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 | |
| SCHEMBL13840653 | 0.76 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3HTR2AKCNH2 |
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 |