Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Acrylic Acid Ethyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL1116658 | 0.80 | TSHR (0.52) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Acrylic Acid Ethyl Ester SCHEMBL28252529 | 0.79 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4FDPS | |
| Acrylic Acid Ethyl Ester SCHEMBL9232846 | 0.79 | TSHR (0.61) | TSHRHPGDALDH1A1CYP3A4CA2 | |
| Acrylic Acid Ethyl Ester SCHEMBL29018411 | 0.79 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| Phosphoric Acid SCHEMBL6446005 | 0.79 | FDPS (0.54) | CYP3A4FDPSCA2MAPK1 | |
| Phosphoric Acid SCHEMBL10781154 | 0.79 | FDPS (0.54) | CYP3A4FDPSCA2MAPK1 | |
| Phosphoric Acid SCHEMBL198742 | 0.79 | FDPS (0.54) | CYP3A4FDPSCA2MAPK1 | |
| Phosphoric Acid SCHEMBL28487358 | 0.79 | FDPS (0.54) | CYP3A4FDPSCA2MAPK1 | |
| Phosphoric Acid SCHEMBL9193113 | 0.79 | FDPS (0.54) | CYP3A4FDPSCA2MAPK1 | |
| Phosphoric Acid SCHEMBL9195623 | 0.79 | FDPS (0.54) | CYP3A4FDPSCA2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0651032-A1 | Filler surface modifier | Ajinomoto Co., Inc. (JP) | 1995-05-03 | — | — | EP | disclosed |