Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28349693 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1 | |
| SCHEMBL6492647 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1 | |
| SCHEMBL30565328 | 0.81 | KEAP1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1 | |
| SCHEMBL7425681 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1 | |
| SCHEMBL497026 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1 | |
| SCHEMBL22462437 | 0.80 | CYP2C9 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9516570 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1 | |
| SCHEMBL22462439 | 0.77 | LMNA (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| Sulfuric Acid SCHEMBL10708662 | 0.76 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL12462064 | 0.75 | KEAP1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19KEAP1 |
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-110590609-A | Fluorine-containing sulfonyl compound, intermediate, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2019-12-20 | — | — | CN | disclosed |