Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 19/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 19/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 19/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 17/20 | 0.49 |
| ▸ | TSHR | P16473 | 14/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 12/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 9/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 8/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24399767 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL24399771 | 0.84 | KDM4C (0.52) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL30401719 | 0.84 | KDM4C (0.52) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL29921961 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL29071310 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL19320358 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL30402747 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL15542062 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL23273972 | 0.77 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR | |
| SCHEMBL29805343 | 0.77 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19CYP2D6TSHR |
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-116096718-A | Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |