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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.30 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.30 |
| ▸ | MMP2 | P08253 | 2/20 | 0.30 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3389770 | 0.94 | ALDH1A1 (0.38) | ALDH1A1MAPTPTPN1AKR1B1CAMK2A | |
| Acetic Acid SCHEMBL27692003 | 0.91 | ALDH1A1 (0.37) | ALDH1A1MAPTPTPN1CAMK2ATDP1 | |
| 1,3-Butanediol SCHEMBL2160926 | 0.87 | ALDH1A1 (0.34) | ALDH1A1MAPTAKR1B1TDP1 | |
| Bicarbonate SCHEMBL15387371 | 0.84 | TDP1 (0.38) | ALDH1A1MAPTPTPN1CAMK2ATDP1 | |
| Formic Acid SCHEMBL2168573 | 0.82 | ALDH1A1 (0.31) | ALDH1A1MAPT | |
| Acetic Acid SCHEMBL2166974 | 0.82 | ALDH1A1 (0.35) | ALDH1A1MAPTPTPN1CAMK2A | |
| Acetic Acid SCHEMBL3389439 | 0.82 | TSHR (0.38) | ALDH1A1PTPN1AKR1B1CAMK2A | |
| Acetic Acid SCHEMBL3389411 | 0.82 | ALOX15 (0.44) | ALDH1A1MAPTPTPN1CAMK2A | |
| Propylene Glycol SCHEMBL2161012 | 0.80 | TDP1 (0.53) | ALDH1A1AKR1B1TDP1 | |
| 1,4-Butanediol SCHEMBL2161930 | 0.79 | GPR84 (0.43) | ALDH1A1CAMK2ATDP1 |
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-1729365-B1 | NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME | UBE INDUSTRIES (JP) | 2010-12-22 | — | — | EP | disclosed |
| US-20080241704-A1 | Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same | UBE INDUSTRIES, LTD (JP) | 2008-10-02 | — | — | US | disclosed |
| EP-1729365-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME | Ube Industries, Ltd. (JP) | 2006-12-06 | — | — | EP | disclosed |