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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL133243 | 0.88 | ALDH1A1 (0.50) | ALDH1A1LMNATSHRATMPRKCA | |
| SCHEMBL28961008 | 0.86 | ALDH1A1 (0.48) | ALDH1A1LMNATSHRATMPRKCA | |
| Methacrylic Acid SCHEMBL27512402 | 0.82 | ALDH1A1 (0.41) | ALDH1A1LMNATSHRATMHCAR2 | |
| Phosphoric Acid SCHEMBL27397878 | 0.81 | ALDH1A1 (0.44) | ALDH1A1LMNATSHR | |
| SCHEMBL8103942 | 0.81 | CES2 (0.46) | ALDH1A1LMNATSHRPRKCAFAAH | |
| SCHEMBL5192045 | 0.81 | CES2 (0.46) | ALDH1A1LMNATSHRPRKCAFAAH | |
| SCHEMBL11165188 | 0.80 | ALDH1A1 (0.37) | ALDH1A1LMNATSHRMAPK1SMN1; SMN2 | |
| SCHEMBL2584728 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNATSHRATMPRKCA | |
| SCHEMBL1469289 | 0.80 | ALDH1A1 (0.43) | ALDH1A1LMNATSHRATMHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28021488 | 0.79 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRATM |
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-113227281-B | Film-forming composition | 日产化学株式会社 | 2023-03-10 | — | — | CN | disclosed |