Known targets — ChEMBL curated mechanism
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL28810900 | 0.94 | TSHR (0.53) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid Ethyl Ester SCHEMBL40332 | 0.87 | HCAR2 (0.58) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid Ethyl Ester SCHEMBL28020506 | 0.87 | HCAR2 (0.58) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid Ethyl Ester SCHEMBL8587658 | 0.87 | HCAR2 (0.58) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid Ethyl Ester SCHEMBL7633351 | 0.85 | HCAR2 (0.56) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Urethane SCHEMBL10799914 | 0.84 | ALOX15 (0.52) | TSHRHCAR2HPGDALDH1A1HSD17B10 | |
| Acrylic Acid SCHEMBL27737829 | 0.84 | TSHR (0.66) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid SCHEMBL23494792 | 0.83 | TDP1 (0.40) | TSHRHCAR2HPGDALDH1A1HSD17B10 | |
| Acrylic Acid Ethyl Ester SCHEMBL5916258 | 0.83 | TSHR (0.48) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid Ethyl Ester SCHEMBL28072439 | 0.83 | TSHR (0.64) | TSHRHCAR2HPGDALDH1A1TP53 |
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-104910744-A | Nano-silica/alcoholic hydroxyl containing poly(methyl)acrylate paint | DONG CHUNZHEN | 2015-09-16 | — | — | CN | disclosed |