Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8550699 | 0.90 | GBA1 (0.41) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL25217371 | 0.81 | ALDH1A1 (0.44) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL25256110 | 0.81 | ALDH1A1 (0.44) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL25256112 | 0.81 | ALDH1A1 (0.44) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL30352814 | 0.81 | ALDH1A1 (0.44) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL476301 | 0.81 | KDM4E (0.40) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL3882337 | 0.81 | KDM4E (0.40) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL932859 | 0.81 | KDM4E (0.40) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL30614595 | 0.81 | KDM4E (0.40) | GSK3BCASP3ALDH1A1KDM4EHPGD | |
| SCHEMBL5970012 | 0.78 | GSK3B (0.50) | GSK3BCASP3ALDH1A1KDM4EHPGD |
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-115109012-A | Benzyl arylamine aldehyde dehydrogenase agonist, and synthesis method and application thereof | 中国人民解放军海军军医大学 | 2022-09-27 | — | — | CN | disclosed |