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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 8/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL673665 | 0.86 | — | — | |
| Acrylic Acid SCHEMBL4448295 | 0.84 | TSHR (0.56) | ALDH1A1CA2MAPK1TSHRCYP3A4 | |
| 2-Ethylhexanoic Acid SCHEMBL4446716 | 0.84 | CA2 (0.74) | ALDH1A1CA2MAPK1TSHRCYP3A4 | |
| Dodecanoate SCHEMBL4443175 | 0.83 | GPR84 (0.61) | ALDH1A1TSHRTDP1RECQL | |
| Acetic Acid SCHEMBL1257694 | 0.83 | ALDH1A1 (0.78) | ALDH1A1CA2MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL30096004 | 0.83 | CA2 (0.57) | ALDH1A1CA2MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL1878883 | 0.81 | ALDH1A1 (0.75) | ALDH1A1CA2MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL674388 | 0.81 | CA2 (0.50) | ALDH1A1CA2MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL673524 | 0.79 | CA2 (0.48) | ALDH1A1CA2MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL21811166 | 0.79 | CA2 (0.48) | ALDH1A1CA2MAPK1TSHRCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |