Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL25468636 | 0.79 | GABRA1 (0.42) | CYP2C19CYP1A2CYP2C9HIF1AALDH1A1 | |
| SCHEMBL17594504 | 0.78 | CYP2C19 (0.36) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL2293546 | 0.78 | HTT (0.39) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL29707205 | 0.78 | HTT (0.39) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL15003248 | 0.78 | CYP2C19 (0.36) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL9994766 | 0.77 | ALDH1A1 (0.48) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL17594503 | 0.73 | POLB (0.44) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL14702177 | 0.72 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL29516681 | 0.71 | CYP2C19 (0.59) | CYP2C19CYP1A2CYP2C9CYP2D6HIF1A | |
| SCHEMBL11746109 | 0.70 | HTR1D (0.35) | CYP2C19 |
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-113549062-B | Chiral quaternary ammonium salt phase transfer catalyst with high steric hindrance derived from cinchona alkaloid and synthesis method thereof | 南京工业大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-113549062-A | Chiral quaternary ammonium salt phase transfer catalyst with high steric hindrance derived from cinchona alkaloid and synthesis method thereof | 南京工业大学 | 2021-10-26 | — | — | CN | disclosed |