Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | USP2 | O75604 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25810288 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL13722312 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL24341884 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL277929 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8402970 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL14010813 | 0.77 | — | — | |
| SCHEMBL17177204 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL25094298 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL30489390 | 0.74 | POLB (0.34) | CYP2C19CYP3A4MAPK1 | |
| SCHEMBL23073847 | 0.74 | EPHX2 (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |