Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985196 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL28985195 | 0.82 | KIF11 (0.42) | GRIN1GRIN2B | |
| SCHEMBL28985164 | 0.80 | GRM5 (0.36) | ALDH1A1 | |
| SCHEMBL28985166 | 0.80 | GRM5 (0.36) | ALDH1A1 | |
| SCHEMBL30475177 | 0.80 | GRM5 (0.36) | ALDH1A1 | |
| SCHEMBL13728586 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL30475181 | 0.74 | GRM5 (0.45) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL30475167 | 0.73 | S1PR2 (0.38) | ALDH1A1CYP1A2 | |
| SCHEMBL28985169 | 0.73 | S1PR2 (0.38) | ALDH1A1CYP1A2 | |
| SCHEMBL28985165 | 0.73 | S1PR2 (0.38) | ALDH1A1CYP1A2 |
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-115974927-A | Diamine-derived phosphine chiral phosphine oxide ligand-promoted nickel-catalyzed asymmetric alkylation of pyridine C2-H bond | 南开大学 | 2023-04-18 | — | — | CN | disclosed |