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 | 6/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 SCHEMBL5454486 | 0.95 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL28294067 | 0.92 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL5937435 | 0.92 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL27447011 | 0.89 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL28521503 | 0.89 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL27261076 | 0.89 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL2308020 | 0.89 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL27680420 | 0.89 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Ethyl Acetate SCHEMBL27651055 | 0.89 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10SOAT1TSHR | |
| Bicarbonate SCHEMBL23931526 | 0.89 | ALDH1A1 (0.87) | ALDH1A1LMNAHSD17B10SOAT1TSHR |
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-105788885-A | Process for preparing camellia petal based sulfur and nitrogen co-doping draped nanosheet by explosion method and fabrication method of supercapacitor electrode | 湘潭大学 | 2016-07-20 | — | — | CN | disclosed |