Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL28889285 | 0.85 | ALDH1A1 (0.41) | ALDH1A1GAA | |
| SCHEMBL28889276 | 0.81 | ALDH1A1 (0.54) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL28889203 | 0.80 | ALDH1A1 (0.50) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL11631926 | 0.78 | ALDH1A1 (0.60) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL28889217 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL28889260 | 0.74 | SMARCA2 (0.38) | CYP2C19SMARCA2 | |
| SCHEMBL9664891 | 0.72 | ALDH1A1 (0.62) | ALDH1A1GAALMNACYP2C19MAPT | |
| SCHEMBL6767570 | 0.71 | ALDH1A1 (0.55) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL28889190 | 0.67 | ADRB2 (0.40) | ALDH1A1GAALMNAPOLBMAPT | |
| SCHEMBL17897224 | 0.65 | RXRA (0.36) | CYP2C19SMARCA2 |
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 |