Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Acrylamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.34 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acrylamide SCHEMBL28749841 | 0.92 | TSHR (0.55) | ALDH1A1TSHRFGFR4BLMKDM4E | |
| Acrylamide SCHEMBL27617844 | 0.92 | ALDH1A1 (0.55) | ALDH1A1TSHRFGFR4BLMCYP2C19 | |
| Acrylamide SCHEMBL2102098 | 0.90 | ALDH1A1 (0.58) | ALDH1A1TSHRFGFR4BLMCYP2C19 | |
| Acrylamide SCHEMBL3731669 | 0.89 | — | — | |
| Acrylamide SCHEMBL28402180 | 0.89 | ALDH1A1 (0.73) | ALDH1A1TSHRFGFR4BLMZDHHC20 | |
| Acrylamide SCHEMBL692432 | 0.89 | ALDH1A1 (0.73) | ALDH1A1TSHRFGFR4BLMKDM4E | |
| Acrylamide SCHEMBL27659043 | 0.89 | ALDH1A1 (0.73) | ALDH1A1TSHRFGFR4BLMKDM4E | |
| Acrylamide SCHEMBL28010442 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TSHRFGFR4BLMCYP2C19 | |
| Acrylamide SCHEMBL28009862 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TSHRFGFR4BLMCYP2C19 | |
| Acrylamide SCHEMBL28510413 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRFGFR4BLMKDM4E |
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-106132486-B | The aliphatic ester and its salt of the alkylenediamines of o-alkylation and composition for hair-conditioning | 科莱恩国际有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-106132486-A | The fatty acid ester of the alkylenediamines of o-alkylation and salt thereof and the compositions for hair-conditioning | 科莱恩国际有限公司 | 2016-11-16 | — | — | CN | disclosed |