Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13362393 | 0.74 | CYP2D6 (0.43) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL1063303 | 0.74 | CYP2D6 (0.43) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL9205825 | 0.74 | CYP2D6 (0.43) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4433801 | 0.69 | CYP2D6 (0.49) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL31410080 | 0.69 | CYP2D6 (0.49) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4432332 | 0.69 | CYP2D6 (0.49) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL4432327 | 0.69 | CYP2D6 (0.49) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL23192021 | 0.68 | CYP2D6 (0.61) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL22621292 | 0.68 | CYP2D6 (0.61) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL8370244 | 0.68 | CYP2D6 (0.61) | CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1 |
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-106560470-B | A kind of preparation method of Oxapium Iodide | 平光制药股份有限公司 | 2019-01-25 | — | — | CN | disclosed |