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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 SCHEMBL2166069 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1CYP2D6 | |
| Acetic Acid SCHEMBL23000898 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1CYP2D6 | |
| Acetic Acid SCHEMBL11351569 | 0.91 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1CYP2D6 | |
| Acetic Acid SCHEMBL2160566 | 0.81 | FFAR3 (0.47) | FFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL27509837 | 0.81 | FFAR3 (0.47) | FFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL5310012 | 0.81 | FFAR3 (0.47) | FFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL28907430 | 0.80 | — | — | |
| Acetic Acid SCHEMBL6905387 | 0.80 | FFAR3 (0.64) | FFAR3LCKFYNALDH1A1ALOX15 | |
| Acetic Acid SCHEMBL10680248 | 0.80 | FFAR3 (0.64) | FFAR3LCKFYNALDH1A1ALOX15 | |
| Acetic Acid SCHEMBL27652008 | 0.80 | FFAR3 (0.64) | FFAR3LCKFYNALDH1A1ALOX15 |
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 |