Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10521768 | 0.83 | CYP2C19 (0.45) | CYP2C19CYP3A4CYP2D6CYP2C9OPRM1 | |
| SCHEMBL10337275 | 0.78 | CYP2C19 (0.41) | CYP2C19CYP3A4CYP2D6CYP2C9OPRM1 | |
| SCHEMBL28848932 | 0.74 | CYP2C19 (0.50) | CYP2C19CYP3A4CYP2D6CYP2C9OPRM1 | |
| SCHEMBL28339180 | 0.74 | HSD11B1 (0.36) | CYP2C19CYP3A4CYP2D6CYP2C9OPRM1 | |
| SCHEMBL21275791 | 0.70 | KMT2A (0.48) | CYP2C19CYP3A4CYP2D6CYP2C9MEN1 | |
| SCHEMBL28268421 | 0.69 | CA12 (0.51) | MEN1KMT2AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL28853936 | 0.69 | KDM1A (0.50) | CYP2C19CYP3A4CYP2C9OPRM1MEN1 | |
| SCHEMBL8225319 | 0.68 | OPRM1 (0.44) | OPRM1MEN1KMT2AGAALMNA | |
| SCHEMBL12439678 | 0.68 | CYP3A4 (0.69) | CYP2C19CYP3A4CYP2D6CYP2C9OPRM1 | |
| SCHEMBL5674788 | 0.68 | POLB (0.46) | CYP2C19CYP3A4CYP2D6CYP2C9OPRM1 |
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-A | The new method of chiral rhodium catalyst catalysis asymmetric syntheses (1S, 2S) -2- fluorine cyclopropane-carboxylic acid | CHEM STONE INC | 2019-11-22 | — | — | CN | disclosed |