Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethyl Acetate. 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 | 7/20 | 0.88 |
| ▸ | LMNA | P02545 | 1/20 | 0.88 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL5937435 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL27447011 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL27651055 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL28521503 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL2308020 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL27680420 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL27261076 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL18921563 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL4893964 | 0.94 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL3525677 | 0.94 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRALOX15 |
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-105358151-B | For treating the compound of Duchenne-Arandisease | 豪夫迈·罗氏有限公司 | 2019-04-12 | — | — | CN | disclosed |