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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL383214 | 0.91 | CA2 (0.51) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| Fumaric Acid SCHEMBL383940 | 0.87 | CA2 (0.51) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| Adipic Acid SCHEMBL673668 | 0.87 | CA2 (0.66) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| Hexanoate SCHEMBL6433822 | 0.86 | CA2 (0.64) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| Acrylic Acid SCHEMBL4445225 | 0.86 | TSHR (0.51) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| 2-Ethylhexanoic Acid SCHEMBL674477 | 0.86 | CA2 (0.68) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| Stearic Acid SCHEMBL4454256 | 0.84 | CA2 (0.62) | CA2TSHRCYP3A4TDP1ATM | |
| SCHEMBL384589 | 0.84 | CA2 (0.49) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| Dodecanoate SCHEMBL4445235 | 0.84 | CA2 (0.62) | CA2TSHRCYP3A4TDP1ATM | |
| SCHEMBL2486340 | 0.83 | ALDH1A1 (0.52) | CA2ALDH1A1TSHRCYP3A4TDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051437-B1 | METHODS OF PREPARING POLYURETHANE ADHESIVES AND ADHESIVES PRODUCED THEREBY | BRISTOL MYERS SQUIBB CO (US) | 2005-08-17 | — | — | EP | claimed |
| 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-0612335-B1 | COMPOSITIONS CONTAINING TIN COMPOUNDS FOR USE AS ONE OF THE COMPONENTS OF TWO-COMPONENT SYSTEMS WHICH CROSS-LINK AT ROOM TEMPERATURE TO FORM ORGANOPOLYSILOXANE ELASTOMERS | WACKER CHEMIE GMBH (DE) | 1996-01-24 | — | — | EP | disclosed |
| EP-0612335-A1 | COMPOSITIONS CONTAINING TIN COMPOUNDS FOR USE AS ONE OF THE COMPONENTS OF TWO-COMPONENT SYSTEMS WHICH CROSS-LINK AT ROOM TEMPERATURE TO FORM ORGANOPOLYSILOXANE ELASTOMERS. | WACKER CHEMIE GMBH (DE) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993010186-A1 | COMPOSITIONS CONTAINING TIN COMPOUNDS FOR USE AS ONE OF THE COMPONENTS OF TWO-COMPONENT SYSTEMS WHICH CROSS-LINK AT ROOM TEMPERATURE TO FORM ORGANOPOLYSILOXANE ELASTOMERS | WACKER-CHEMIE GMBH (DE) | 1993-05-27 | — | — | WO | disclosed |
| EP-0090409-B1 | COMPOSITIONS STORAGE-STABLE IN THE ABSENCE OF WATER, CURING INTO ELASTOMERS AT ROOM TEMPERATURE IN THE PRESENCE OF WATER | Wacker-Chemie GmbH (DE) | 1986-07-16 | — | — | EP | disclosed |
| EP-0090409-A2 | Compositions storage-stable in the absence of water, curing into elastomers at room temperature in the presence of water | Wacker-Chemie GmbH (DE) | 1983-10-05 | — | — | EP | disclosed |