Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.42 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28889180 | 0.81 | ALDH1A1 (0.51) | ALDH1A1GAAL3MBTL1LMNAPOLB | |
| SCHEMBL11631926 | 0.80 | ALDH1A1 (0.60) | ALDH1A1OPRM1OPRL1GAAL3MBTL1 | |
| SCHEMBL28889203 | 0.80 | ALDH1A1 (0.50) | ALDH1A1GAAL3MBTL1LMNAPOLB | |
| SCHEMBL28889217 | 0.80 | ALDH1A1 (0.50) | ALDH1A1OPRM1OPRL1GAALMNA | |
| SCHEMBL9664891 | 0.74 | ALDH1A1 (0.62) | ALDH1A1OPRL1GAAL3MBTL1SLC6A2 | |
| SCHEMBL6767570 | 0.73 | ALDH1A1 (0.55) | ALDH1A1OPRM1OPRL1GAALMNA | |
| SCHEMBL28889227 | 0.72 | CTSA (0.47) | OPRM1OPRL1CTSAMDM2SLC6A2 | |
| SCHEMBL5655425 | 0.71 | ALDH1A1 (0.48) | ALDH1A1GAAL3MBTL1LMNAMAPT | |
| SCHEMBL15034193 | 0.70 | UHRF1 (0.43) | ALDH1A1GAAL3MBTL1SLC6A2SLC6A4 | |
| SCHEMBL29031386 | 0.69 | ALDH1A1 (0.40) | ALDH1A1OPRM1OPRL1GAAL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022222911-A1 | PYRIMIDONE COMPOUND AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-10-27 | — | — | WO | disclosed |
| CN-115215862-A | Pyrimidone compounds and uses thereof | 武汉人福创新药物研发中心有限公司 | 2022-10-21 | — | — | CN | disclosed |