Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.39 |
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 SCHEMBL9345314 | 0.98 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10FAAHACE2 | |
| Ethyl Acetate SCHEMBL2534820 | 0.94 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10FAAHACE2 | |
| Acetic Acid Propyl Ester SCHEMBL4383055 | 0.88 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10FAAHACE2 | |
| Hexane SCHEMBL27497972 | 0.87 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10FAAHCA1 | |
| Hexane SCHEMBL27496679 | 0.87 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10FAAHCA1 | |
| Hexane SCHEMBL27527360 | 0.87 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10FAAHCA1 | |
| Ethyl Acetate SCHEMBL2143023 | 0.85 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10PTPN1TP53 | |
| Hexane SCHEMBL11635720 | 0.85 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10FAAHGPR84 | |
| Hexane SCHEMBL213641 | 0.84 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10FAAHGPR84 | |
| Acetic Acid SCHEMBL633845 | 0.84 | GPR84 (0.52) | ACE2GPR84CA1FFAR1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002070674-A2 | A HUMAN MEMBER OF THE PHOSPHOLIPASE D SUPERFAMILY AND METHODS FOR REGULATING ITS ACTIVITY | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-12 | — | — | WO | disclosed |