Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6546294 | 0.86 | NFE2L2 (0.46) | NFE2L2TRPA1GABRA1GABRB2CHAT | |
| SCHEMBL16105670 | 0.86 | NFE2L2 (0.46) | NFE2L2TRPA1GABRA1GABRB2CHAT | |
| SCHEMBL6546293 | 0.86 | NFE2L2 (0.46) | NFE2L2TRPA1GABRA1GABRB2CHAT | |
| SCHEMBL9839979 | 0.81 | GABRA1 (0.42) | NFE2L2TRPA1GABRA1GABRB2CHAT | |
| SCHEMBL39008 | 0.78 | NFE2L2 (0.60) | NFE2L2TRPA1CHAT | |
| SCHEMBL197723 | 0.78 | GABRA1 (0.56) | GABRA1GABRB2 | |
| SCHEMBL30130338 | 0.78 | NFE2L2 (0.60) | NFE2L2TRPA1CHAT | |
| SCHEMBL19031413 | 0.78 | NFE2L2 (0.60) | NFE2L2TRPA1CHAT | |
| SCHEMBL29567711 | 0.78 | NFE2L2 (0.60) | NFE2L2TRPA1CHAT | |
| SCHEMBL28399996 | 0.78 | NFE2L2 (0.60) | NFE2L2TRPA1CHAT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105837388-B | The preparation method of alkyl and the bifunctional dough biphenyl compound of alkenyl modification | 同济大学 | 2018-08-28 | — | — | CN | disclosed |
| CN-105837388-A | Alkyl/alkenyl-modified difunctional biphenyl compounds and preparation method thereof | 同济大学 | 2016-08-10 | — | — | CN | disclosed |