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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 6/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 6/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | BID | P55957 | 3/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.38 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.38 |
| ▸ | KAT8 | Q9H7Z6 | 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 | |
|---|---|---|---|---|
| Lactic Acid SCHEMBL7768244 | 0.92 | CSNK1E (0.43) | ALDH1A1CYSLTR2CYSLTR1CSNK1ECNR2 | |
| Malonic Acid SCHEMBL7763542 | 0.92 | CYSLTR2 (0.44) | ALDH1A1CYSLTR2CYSLTR1CSNK1ECNR2 | |
| Succinic Acid SCHEMBL7764851 | 0.92 | CYSLTR2 (0.50) | ALDH1A1CYSLTR2CYSLTR1CES2CES1 | |
| Cadaverine Tartrate SCHEMBL7764354 | 0.90 | CSNK1E (0.42) | ALDH1A1CYSLTR2CYSLTR1CSNK1ECNR2 | |
| Adipic Acid SCHEMBL7765945 | 0.90 | CYSLTR2 (0.52) | ALDH1A1CYSLTR2CYSLTR1 | |
| Hydrochloric Acid SCHEMBL7764448 | 0.89 | CSNK1E (0.40) | ALDH1A1CYSLTR2CYSLTR1CSNK1EPRSS1 | |
| Hydrochloric Acid SCHEMBL8720793 | 0.89 | CSNK1E (0.40) | ALDH1A1CYSLTR2CYSLTR1CSNK1EPRSS1 | |
| Hydrochloric Acid SCHEMBL7760971 | 0.89 | CSNK1E (0.40) | ALDH1A1CYSLTR2CYSLTR1CSNK1EPRSS1 | |
| Sulfuric Acid SCHEMBL7765900 | 0.88 | TP53 (0.44) | ALDH1A1CYSLTR2CYSLTR1CSNK1EPRSS1 | |
| Nitric Acid SCHEMBL7764393 | 0.86 | CSNK1E (0.37) | ALDH1A1CYSLTR2CYSLTR1CSNK1ECNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0825175-B1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO (JP) | 2001-06-13 | — | — | EP | disclosed |
| EP-0825175-A1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |