Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5674791 | 0.78 | CYP2C19 (0.48) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL16865149 | 0.77 | CYP3A4 (0.41) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL12439678 | 0.74 | CYP3A4 (0.69) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL21275791 | 0.74 | KMT2A (0.48) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL28339181 | 0.74 | CYP2C19 (0.44) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL10521768 | 0.73 | CYP2C19 (0.45) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL16865191 | 0.72 | MAPT (0.41) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL16865205 | 0.70 | CYP3A4 (0.36) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL10650123 | 0.69 | CYP2C19 (0.45) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL10337275 | 0.69 | CYP2C19 (0.41) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 |
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-110483272-B | Novel method for asymmetric synthesis of (1S,2S) -2-fluorocyclopropanecarboxylic acid by catalysis of chiral rhodium catalyst | 广州康瑞泰药业有限公司 | 2022-09-27 | — | — | CN | disclosed |