Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 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 | |
|---|---|---|---|---|
| SCHEMBL28258219 | 0.92 | NQO1 (0.45) | BCHENQO1SLC18A2CYP1A2CYP2D6 | |
| SCHEMBL28233324 | 0.89 | ALDH1A1 (0.38) | BCHENQO1CYP1A2ALDH1A1LCK | |
| Hexane SCHEMBL27771707 | 0.88 | HPRT1 (0.42) | NQO1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Pentane SCHEMBL27304785 | 0.88 | HPRT1 (0.42) | NQO1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27408377 | 0.87 | NQO1 (0.49) | NQO1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Decane SCHEMBL27771706 | 0.87 | ALDH1A1 (0.42) | NQO1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Hexane SCHEMBL27897573 | 0.87 | ALDH1A1 (0.43) | NQO1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Dodecane SCHEMBL28781866 | 0.87 | ALDH1A1 (0.42) | NQO1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Dodecane SCHEMBL27880579 | 0.85 | ALDH1A1 (0.44) | NQO1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Butane SCHEMBL27510003 | 0.85 | HPRT1 (0.45) | NQO1CYP1A2ALDH1A1LCKFYN |
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-105764885-B | The production method of acid and free-radical generating agent and acid and free radical | 富士胶片和光纯药株式会社 | 2018-11-09 | — | — | CN | disclosed |