Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 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 | |
|---|---|---|---|---|
| SCHEMBL3510024 | 0.84 | ALDH1A1 (0.36) | ALDH1A1MAOA | |
| SCHEMBL16955600 | 0.75 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL30253117 | 0.75 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL17703530 | 0.74 | SOD1 (0.35) | ALDH1A1MAPK1 | |
| SCHEMBL24270006 | 0.74 | ALDH1A1 (0.30) | ALDH1A1MAPK1 | |
| SCHEMBL19274300 | 0.74 | GABRA1 (0.31) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL309487 | 0.74 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4932821 | 0.73 | SLC6A4 (0.31) | ALDH1A1MAOACYP1A2 | |
| SCHEMBL24269857 | 0.73 | ALDH1A1 (0.36) | ALDH1A1MAPK1 | |
| SCHEMBL2866808 | 0.72 | SLC6A4 (0.39) | ALDH1A1MAOA |
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-2023125935-A1 | BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |