Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL28077311 | 1.00 | CHAT (0.40) | CHATRELANR1H3CYP1A2CYP2C9 | |
| SCHEMBL28077300 | 0.85 | NFE2L2 (0.45) | CHATRELANR1H3CYP1A2CYP2C9 | |
| SCHEMBL28077298 | 0.85 | NFE2L2 (0.45) | CHATRELANR1H3CYP1A2CYP2C9 | |
| SCHEMBL28077237 | 0.85 | NFE2L2 (0.40) | CHATRELANR1H3CYP2C9NFE2L2 | |
| SCHEMBL28077297 | 0.85 | NFE2L2 (0.46) | RELAMAOBMAOANFE2L2ALDH1A1 | |
| SCHEMBL28077294 | 0.85 | NFE2L2 (0.46) | RELAMAOBMAOANFE2L2ALDH1A1 | |
| SCHEMBL28077301 | 0.81 | RELA (0.44) | CHATRELAALDH1A1 | |
| SCHEMBL28077304 | 0.81 | RELA (0.44) | CHATRELAALDH1A1 | |
| SCHEMBL28831064 | 0.79 | NFE2L2 (0.46) | CHATRELANR1H3CYP2C9NFE2L2 | |
| SCHEMBL28831061 | 0.79 | NFE2L2 (0.46) | CHATRELANR1H3CYP2C9NFE2L2 |
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 |