Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7749333 | 0.91 | NQO1 (0.56) | SMN1; SMN2CYP1A2PLK1TDP1EPHX2 | |
| 1-Methoxy-4-Ethoxybenzene SCHEMBL27321389 | 0.78 | ALDH1A1 (0.60) | SMN1; SMN2CYP1A2PLK1MEN1LMNA | |
| SCHEMBL10548831 | 0.77 | NQO1 (0.52) | SMN1; SMN2CYP1A2PLK1MEN1LMNA | |
| SCHEMBL10879306 | 0.77 | CYP3A4 (0.57) | SMN1; SMN2PLK1MEN1LMNAKMT2A | |
| SCHEMBL28841161 | 0.77 | NQO1 (0.52) | SMN1; SMN2CYP1A2PLK1MEN1LMNA | |
| SCHEMBL10879465 | 0.77 | CYP3A4 (0.57) | SMN1; SMN2CYP3A4MAOBALDH1A1ACACB | |
| SCHEMBL7753233 | 0.77 | NQO1 (0.52) | SMN1; SMN2CYP1A2PLK1MEN1LMNA | |
| 1-Methoxy-4-Ethoxybenzene SCHEMBL27748050 | 0.77 | MAPT (0.58) | SMN1; SMN2CYP1A2PLK1MEN1LMNA | |
| 1-Methoxy-4-Ethoxybenzene SCHEMBL27727144 | 0.77 | MAPT (0.58) | SMN1; SMN2CYP1A2PLK1MEN1LMNA | |
| Acetic Acid SCHEMBL6327506 | 0.76 | TAAR1 (0.50) | CYP1A2KMT2ACYP3A4ALDH1A1MAPT |
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-112723999-A | Synthetic method of 2- (4-ethoxyphenyl) -2-methylpropanol | 湖北英纳氏生物科技有限公司 | 2021-04-30 | — | — | CN | disclosed |