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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL26653942 | 0.97 | ALDH1A1 (0.33) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL29501656 | 0.78 | ALOX15 (0.33) | KDM4E | |
| SCHEMBL3381060 | 0.77 | — | — | |
| Acetic Acid SCHEMBL26654382 | 0.77 | MAPT (0.37) | LMNACYP1A2 | |
| SCHEMBL28988214 | 0.74 | — | — | |
| SCHEMBL4692096 | 0.74 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL21847231 | 0.74 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL11002287 | 0.73 | ALOX15 (0.34) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL28988277 | 0.73 | CYP1A2 (0.37) | ALDH1A1LMNACYP1A2 | |
| SCHEMBL5122025 | 0.72 | MEN1 (0.30) | ALDH1A1 |
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-116018334-A | Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives | 弗门尼舍有限公司 | 2023-04-25 | — | — | CN | disclosed |