Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28077292 | 1.00 | BRS3 (0.41) | BRS3CYP3A4CYP2D6CYP2C9BACE1 | |
| SCHEMBL28077237 | 0.91 | NFE2L2 (0.40) | BRS3CYP3A4CYP2D6CYP2C9CHAT | |
| SCHEMBL28831064 | 0.87 | NFE2L2 (0.46) | BRS3CYP3A4CYP2D6CYP2C9CHAT | |
| SCHEMBL28831061 | 0.87 | NFE2L2 (0.46) | BRS3CYP3A4CYP2D6CYP2C9CHAT | |
| SCHEMBL28077300 | 0.86 | NFE2L2 (0.45) | BRS3CYP3A4CYP2D6CYP2C9CHAT | |
| SCHEMBL28077298 | 0.86 | NFE2L2 (0.45) | BRS3CYP3A4CYP2D6CYP2C9CHAT | |
| SCHEMBL28077137 | 0.86 | NFE2L2 (0.47) | CYP3A4CYP2D6CYP2C9ESR1ESR2 | |
| SCHEMBL28077135 | 0.86 | NFE2L2 (0.47) | CYP3A4CYP2D6CYP2C9ESR1ESR2 | |
| SCHEMBL28831000 | 0.84 | NR1H3 (0.48) | BRS3CYP3A4CYP2D6CYP2C9CHAT | |
| SCHEMBL28830999 | 0.84 | NR1H3 (0.48) | BRS3CYP3A4CYP2D6CYP2C9CHAT |
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 |