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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL384291 | 0.90 | CES2 (0.43) | CES2CES1ALDH1A1ALPLPOLB | |
| SCHEMBL384289 | 0.90 | CES2 (0.43) | CES2CES1ALDH1A1ALPLPOLB | |
| Fumaric Acid SCHEMBL385034 | 0.83 | CES2 (0.45) | CES2CES1ALDH1A1ALPLPOLB | |
| Fumaric Acid SCHEMBL385037 | 0.83 | CES2 (0.45) | CES2CES1ALDH1A1ALPLPOLB | |
| Propiolic Acid SCHEMBL30525601 | 0.82 | CES2 (0.43) | CES2CES1ALDH1A1ALPLPOLB | |
| Adipic Acid SCHEMBL673647 | 0.82 | HDAC1 (0.61) | CES2CES1LMNAAKR1B1HDAC3 | |
| Acrylic Acid SCHEMBL4441136 | 0.82 | CES2 (0.43) | CES2CES1ALDH1A1ALPLPOLB | |
| SCHEMBL384782 | 0.80 | CES1 (0.52) | CES2CES1ALDH1A1LMNAAKR1B1 | |
| SCHEMBL3764311 | 0.80 | CES1 (0.52) | CES2CES1ALDH1A1LMNAAKR1B1 | |
| SCHEMBL387267 | 0.78 | CALM1 (0.47) | ALDH1A1TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3456746-B1 | TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE | BRIDGESTONE CORP (JP) | 2023-04-19 | — | — | EP | disclosed |
| WO-2022124058-A1 | POLYMER-METAL COMPLEX, TIRE, AND POLYMER ARTICLE | 株式会社ブリヂストン | 2022-06-16 | — | — | WO | disclosed |
| EP-1958980-B1 | THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT | JSR CORP (JP) | 2012-10-31 | — | — | EP | disclosed |
| US-20090270525-A1 | THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT | JSR CORPORATION (JP) | 2009-10-29 | — | — | US | disclosed |
| EP-1958980-A1 | THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT | JSR Corporation (JP) | 2008-08-20 | — | — | EP | disclosed |
| EP-0911352-A2 | Baking coating and its use | BAYER AG (DE) | 1999-04-28 | — | — | EP | disclosed |
| US-4172159-A | INPINGEMENT OF ORGANOTIN COMPOUND | SAINT-GOBAIN INDUSTRIES (FR) | 1979-10-23 | — | — | US | disclosed |