Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9967711 | 0.83 | AHR (0.48) | AHRNFE2L2MAOBMAOACYP1A2 | |
| SCHEMBL14465008 | 0.83 | AHR (0.48) | AHRNFE2L2MAOBMAOACYP1A2 | |
| SCHEMBL10131184 | 0.83 | AHR (0.48) | AHRNFE2L2MAOBMAOACYP1A2 | |
| SCHEMBL30953662 | 0.82 | CYP3A4 (0.57) | AHRNFE2L2TP53CYP3A4CYP2D6 | |
| SCHEMBL30953550 | 0.82 | RELA (0.55) | NFE2L2MAOBMAOATP53CYP3A4 | |
| SCHEMBL30953586 | 0.80 | NFE2L2 (0.57) | NFE2L2MEN1KMT2ARELAPTGS1 | |
| SCHEMBL30953556 | 0.80 | CYP2C19 (0.49) | MAOBMAOATP53CYP3A4CYP2D6 | |
| SCHEMBL11539633 | 0.79 | TRPA1 (0.52) | NFE2L2MAOBTP53CYP3A4MEN1 | |
| SCHEMBL12066326 | 0.79 | TRPA1 (0.52) | NFE2L2MAOBTP53CYP3A4MEN1 | |
| SCHEMBL2077774 | 0.75 | ADRB2 (0.46) | AHRNFE2L2MAOBCYP1A2PTGS2 |
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-117886677-A | Synthesis method of allyl trifluoroethyl ether compound | 合肥工业大学 | 2024-04-16 | — | — | CN | disclosed |