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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL675316 | 0.87 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL30096004 | 0.79 | CA2 (0.57) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL4452769 | 0.79 | ALDH1A1 (0.52) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL1257694 | 0.79 | ALDH1A1 (0.78) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL674388 | 0.78 | CA2 (0.50) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| SCHEMBL21811190 | 0.78 | ALDH1A1 (0.45) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL28508982 | 0.78 | ALDH1A1 (0.45) | CA2ALDH1A1TSHRCYP3A4TDP1 | |
| Acetic Acid SCHEMBL1878883 | 0.78 | ALDH1A1 (0.75) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL7697223 | 0.76 | CYP3A4 (0.58) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL673524 | 0.76 | CA2 (0.48) | CA2ALDH1A1MAPK1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020054484-A1 | MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT | 株式会社ブリヂストン | 2020-03-19 | — | — | WO | disclosed |