Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5810906 | 0.89 | OPRM1 (0.38) | CYP2C9OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL12529299 | 0.65 | KCNH2 (0.41) | CYP2C9OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL1169614 | 0.62 | MAP3K12 (0.34) | ERCC1FEN1ERCC4 | |
| SCHEMBL1749459 | 0.62 | MAPK1 (0.50) | BCHEACHEALDH1A1MAPT | |
| SCHEMBL5336044 | 0.61 | MAPT (0.37) | ERCC1FEN1ERCC4ALDH1A1MAPT | |
| SCHEMBL4319341 | 0.61 | MAPK1 (0.52) | ALDH1A1MAPT | |
| SCHEMBL2211807 | 0.59 | ERCC1 (0.33) | OPRM1OPRD1OPRK1OGFRL1ERCC1 | |
| SCHEMBL12198944 | 0.58 | ADORA2A (0.46) | ALDH1A1 | |
| SCHEMBL1750708 | 0.56 | MAPK1 (0.47) | ALDH1A1MAPT | |
| SCHEMBL1527368 | 0.56 | ACE (0.55) | MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1694678-A2 | PROCESS FOR PREPARING HEXAHYDROPYRIMIDO 1,2-A¨AZEPINE-2-CARBOXYLATES AND RELATED COMPOUNDS | Merck & Co., Inc. (US) | 2006-08-30 | — | — | EP | disclosed |
| EP-1694678-A2 | PROCESS FOR PREPARING HEXAHYDROPYRIMIDO 1,2-A¨AZEPINE-2-CARBOXYLATES AND RELATED COMPOUNDS | Merck & Co., Inc. (US) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005061501-A3 | PROCESS FOR PREPARING HEXAHYDROPYRIMIDO[1,2-A]AZEPINE-2-CARBOXYLATES AND RELATED COMPOUNDS | MERCK & CO INC (US) | 2006-04-06 | — | — | WO | disclosed |
| WO-2005061501-A2 | PROCESS FOR PREPARING HEXAHYDROPYRIMIDO[1,2-A]AZEPINE-2-CARBOXYLATES AND RELATED COMPOUNDS | MERCK & CO., INC. (US) | 2005-07-07 | — | — | WO | disclosed |
| WO-2005061501-A2 | PROCESS FOR PREPARING HEXAHYDROPYRIMIDO[1,2-A]AZEPINE-2-CARBOXYLATES AND RELATED COMPOUNDS | MERCK & CO., INC. (US) | 2005-07-07 | — | — | WO | disclosed |