Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acetic Acid Butyl 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL28255898 | 0.96 | ALDH1A1 (0.67) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL2700544 | 0.93 | ALDH1A1 (0.72) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Pentyl Ester SCHEMBL27685689 | 0.87 | ALDH1A1 (0.63) | ALDH1A1HCAR2TSHRMAPTKDM4E | |
| Acetic Acid Butyl Ester SCHEMBL107642 | 0.86 | ALDH1A1 (0.62) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid Butyl Ester SCHEMBL1261472 | 0.86 | ALDH1A1 (0.62) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Octyl Acetate SCHEMBL27849660 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRMAPTKDM4EDUSP3 | |
| Tetradecylacetate SCHEMBL633019 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRMAPTKDM4EDUSP3 | |
| Propylene Glycol SCHEMBL28120659 | 0.86 | TSHR (0.47) | ALDH1A1TSHRMAPTKDM4EMEN1 | |
| Hexane SCHEMBL28211852 | 0.85 | MAPT (0.44) | MAPTKDM4EDUSP3MEN1KMT2A | |
| Acetic Acid Pentyl Ester SCHEMBL27678839 | 0.85 | ALDH1A1 (0.60) | ALDH1A1TSHRMAPTMEN1KMT2A |
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-109722141-A | A kind of elasticity grains of sand paint and preparation method thereof | 东来涂料技术（上海）股份有限公司 | 2019-05-07 | — | — | CN | disclosed |