Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7016426 | 1.00 | APP (0.39) | APPKCNH2IDO1ARHCAR1 | |
| SCHEMBL13989035 | 1.00 | APP (0.39) | APPKCNH2IDO1ARHCAR1 | |
| SCHEMBL5644762 | 0.77 | NFKB1 (0.53) | MAOBMAPTKMT2A | |
| SCHEMBL29110157 | 0.77 | APP (0.42) | APPKCNH2IDO1HCAR1NFE2L2 | |
| SCHEMBL4728560 | 0.77 | NFKB1 (0.53) | MAOBMAPTKMT2A | |
| SCHEMBL30619993 | 0.77 | APP (0.42) | APPKCNH2IDO1HCAR1NFE2L2 | |
| SCHEMBL17489479 | 0.77 | APP (0.42) | APPKCNH2IDO1HCAR1NFE2L2 | |
| SCHEMBL9651833 | 0.75 | PTGS1 (0.39) | KCNH2HCAR1NFE2L2KDM4E | |
| SCHEMBL9869836 | 0.75 | PTGS1 (0.39) | KCNH2HCAR1NFE2L2KDM4E | |
| SCHEMBL7480445 | 0.75 | MAOA (0.42) | KCNH2NFE2L2MAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7462620-B2 | Pyrimidinone derivatives and their use in the treatment of atherosclerosis | SMITHKLINE BEECHAM, PLC (GB) | 2008-12-09 | — | — | US | disclosed |
| US-7169924-B2 | Pyrimidinone derivatives and their use in the treatment of atherosclerosis | SMITHKLINE BEECHAM PLC (GB) | 2007-01-30 | — | — | US | disclosed |
| EP-1337517-A1 | PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002030911-A1 | PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-04-18 | — | — | WO | disclosed |