Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28360330 | 0.84 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL595187 | 0.75 | ALDH1A1 (0.40) | ALDH1A1IDO1TDO2 | |
| SCHEMBL3003466 | 0.75 | ALDH1A1 (0.40) | ALDH1A1IDO1TDO2 | |
| SCHEMBL2993539 | 0.75 | ALDH1A1 (0.40) | ALDH1A1IDO1TDO2 | |
| SCHEMBL14632242 | 0.75 | ALDH1A1 (0.40) | ALDH1A1IDO1TDO2 | |
| SCHEMBL29254014 | 0.71 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL2991559 | 0.71 | ALDH1A1 (0.67) | ALDH1A1 | |
| SCHEMBL6688258 | 0.71 | ALDH1A1 (0.67) | ALDH1A1 | |
| SCHEMBL5130827 | 0.70 | IDO1 (0.33) | ALDH1A1IDO1TDO2 | |
| SCHEMBL22037123 | 0.70 | ALDH1A1 (0.35) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110655539-B | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-110655539-A | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2020-01-07 | — | — | CN | disclosed |