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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.76 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.54 |
| ▸ | CDC42 | P60953 | 1/20 | 0.54 |
| ▸ | RAC1 | P63000 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10948260 | 0.98 | CYP1A2 (0.73) | CYP1A2CYP2A6KDM4EAKR1C3AKR1C2 | |
| Acetic Acid SCHEMBL25361488 | 0.91 | CYP1A2 (0.63) | CYP1A2CYP2A6KDM4EAKR1C3AKR1C2 | |
| SCHEMBL28113918 | 0.90 | CYP1A2 (0.73) | CYP1A2CYP2A6KDM4EAKR1C3AKR1C2 | |
| Methyl Alcohol SCHEMBL5664821 | 0.87 | CYP1A2 (0.91) | CYP1A2CYP2A6KDM4ETDP1MEN1 | |
| SCHEMBL5311432 | 0.87 | CYP1A2 (1.00) | CYP1A2CYP2A6KDM4ETDP1MEN1 | |
| SCHEMBL29353188 | 0.87 | CYP1A2 (1.00) | CYP1A2CYP2A6KDM4ETDP1MEN1 | |
| SCHEMBL112792 | 0.87 | CYP1A2 (1.00) | CYP1A2CYP2A6KDM4ETDP1MEN1 | |
| SCHEMBL28696899 | 0.87 | CYP1A2 (0.68) | CYP1A2CYP2A6KDM4EAKR1C3AKR1C2 | |
| Propionic Acid SCHEMBL7100623 | 0.87 | CYP1A2 (0.68) | CYP1A2CYP2A6KDM4EAKR1C3AKR1C2 | |
| SCHEMBL7109109 | 0.85 | CYP1A2 (0.66) | CYP1A2CYP2A6KDM4EMAPTMEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117986107-A | Substituted-1, 4-naphthoquinone compound and preparation method thereof | 青岛科技大学 | 2024-05-07 | — | — | CN | disclosed |
| CN-110312502-A | Personal care compositions | 荷兰联合利华有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-1125044-C | Novel prostaglandin synthase inhibitors | DU PONT MERCK PHARMA (US) | 2003-10-22 | — | — | CN | disclosed |
| EP-0952227-B1 | A bio-resolution process | COUNCIL SCIENT IND RES (IN) | 2003-09-03 | — | — | EP | disclosed |
| EP-0952227-A1 | A bio-resolution process | Council of Scientific and Industrial Research (IN) | 1999-10-27 | — | — | EP | disclosed |
| CN-1166167-A | Novel prostaglandin synthase inhibitors | DU PONT MERCK PHARMA (US) | 1997-11-26 | — | — | CN | disclosed |
| US-4515970-A | Process for preparation of alkanoic acids | SOCIETE FRANCAISE HOECHST (FR) | 1985-05-07 | — | — | US | disclosed |