Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 6/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL12015780 | 0.84 | CYP2C19 (0.39) | CYP2C19CYP3A4AAK1NUDT1TYK2 | |
| SCHEMBL23763014 | 0.82 | SYK (0.40) | CYP2C19CYP3A4AAK1HTR7NUDT1 | |
| SCHEMBL30237079 | 0.82 | SYK (0.40) | CYP2C19CYP3A4AAK1HTR7NUDT1 | |
| SCHEMBL4317208 | 0.81 | CIT (0.40) | CYP2C19CYP3A4AAK1NUDT1TYK2 | |
| SCHEMBL34474204 | 0.77 | CYP3A4 (0.41) | CYP2C19CYP3A4HTR7ALDH1A1 | |
| SCHEMBL29675753 | 0.76 | NPC1 (0.47) | AAK1ALDH1A1ROCK2ROCK1 | |
| SCHEMBL18019818 | 0.73 | LOXL2 (0.42) | CYP2C19CYP3A4 | |
| SCHEMBL3465346 | 0.73 | ROCK1 (0.38) | CYP2C19CYP3A4AAK1TYK2ALDH1A1 | |
| SCHEMBL21078941 | 0.72 | PTGDR2 (0.31) | CYP2C19CYP3A4AAK1TYK2ALDH1A1 | |
| SCHEMBL2740139 | 0.70 | CYP3A4 (0.62) | CYP2C19CYP3A4ALDH1A1ROCK2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2841421-B1 | AMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2019-06-05 | — | — | EP | disclosed |