Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.40 |
| ▸ | SQSTM1 | Q13501 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24968892 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19L3MBTL1CYP3A4 | |
| SCHEMBL22094445 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19L3MBTL1CYP3A4 | |
| SCHEMBL22094015 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19MAPTMAPK1 | |
| SCHEMBL31309148 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19MAPTMAPK1 | |
| SCHEMBL20669649 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19CYP3A4MAPT | |
| SCHEMBL31309047 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19CYP3A4MAPT | |
| SCHEMBL22094130 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT | |
| SCHEMBL31308893 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT | |
| SCHEMBL24968891 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19CYP3A4MAPT | |
| SCHEMBL30851283 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19CYP3A4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117642393-A | Novel PARP7 inhibitor and application thereof | 上海齐鲁制药研究中心有限公司 | 2024-03-01 | — | — | CN | disclosed |