Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 SCHEMBL27910917 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28110884 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL10425675 | 0.94 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL30152067 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28615209 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1330811 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL70316 | 0.94 | ALDH1A1 (1.00) | — |
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-109966315-B | A composition for protecting teeth | 赵云峰 | 2021-03-30 | — | — | CN | disclosed |