Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL258271 | 0.95 | CYP3A4 (0.39) | CYP3A4ALDH1A1HTR2BMAPK1CHRM1 | |
| SCHEMBL27803122 | 0.95 | CYP3A4 (0.39) | CYP3A4ALDH1A1HTR2BMAPK1CHRM1 | |
| SCHEMBL10583579 | 0.87 | CYP3A4 (0.34) | CYP3A4ALDH1A1HTR2BMAPK1CHRM1 | |
| SCHEMBL13176835 | 0.78 | CYP3A4 (0.44) | CYP3A4ALDH1A1HTR2BMAPK1LMNA | |
| SCHEMBL6441444 | 0.77 | CYP3A4 (0.41) | CYP3A4ALDH1A1HTR2BCHRM1ALOX15 | |
| SCHEMBL900037 | 0.77 | ALDH1A1 (0.42) | CYP3A4ALDH1A1HTR2BMAPK1HTR2A | |
| Butyl Chloride SCHEMBL28975559 | 0.77 | TSHR (0.42) | ALDH1A1LMNACYP1A2PNMTTSHR | |
| SCHEMBL180306 | 0.75 | CYP3A4 (0.46) | CYP3A4ALDH1A1HTR2BMAPK1CHRM1 | |
| SCHEMBL5734545 | 0.75 | CYP3A4 (0.40) | CYP3A4ALDH1A1POLBLMNACD44 | |
| SCHEMBL29370015 | 0.75 | CYP3A4 (0.46) | CYP3A4ALDH1A1HTR2BMAPK1CHRM1 |
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-105315160-A | Benzyl tertiary amine, preparation method and applications thereof | UNIV ZHEJIANG OCEAN | 2016-02-10 | — | — | CN | disclosed |