Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL28889282 | 0.85 | ALDH1A1 (0.40) | ALDH1A1GAAL3MBTL1PKMKDM4E | |
| SCHEMBL28889210 | 0.84 | ADRB2 (0.40) | ALDH1A1GAAL3MBTL1PKMKDM4E | |
| SCHEMBL28889190 | 0.84 | ADRB2 (0.40) | ALDH1A1GAAL3MBTL1PKMKDM4E | |
| SCHEMBL28889163 | 0.83 | GAA (0.46) | ALDH1A1GAAL3MBTL1PKMKDM4E | |
| SCHEMBL28994023 | 0.82 | KDM4E (0.41) | ALDH1A1L3MBTL1KDM4EADRB2NOS3 | |
| SCHEMBL28889197 | 0.82 | ADRB2 (0.38) | ALDH1A1GAAL3MBTL1PKMKDM4E | |
| SCHEMBL24110401 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAAL3MBTL1PKMKDM4E | |
| SCHEMBL28889153 | 0.81 | ADRB2 (0.40) | ALDH1A1GAAL3MBTL1KDM4ELMNA | |
| SCHEMBL28889313 | 0.81 | ALDH1A1 (0.52) | ALDH1A1GAAL3MBTL1PKMKDM4E | |
| SCHEMBL29894007 | 0.81 | ALDH1A1 (0.52) | ALDH1A1GAAL3MBTL1PKMKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867541-A | Aminopyrimidinone derivatives | 豪夫迈·罗氏有限公司 | 2023-03-28 | — | — | CN | disclosed |
| 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 |