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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | LAP3 | P28838 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 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 SCHEMBL5673508 | 1.00 | SLC1A3 (0.38) | SLC1A3SLC1A2SLC1A1FFAR3LCK | |
| Acetic Acid SCHEMBL17060542 | 1.00 | SLC1A3 (0.38) | SLC1A3SLC1A2SLC1A1FFAR3LCK | |
| Acetic Acid SCHEMBL2637376 | 1.00 | SLC1A3 (0.38) | SLC1A3SLC1A2SLC1A1FFAR3LCK | |
| Acetic Acid SCHEMBL3402077 | 0.86 | FFAR3 (0.44) | FFAR3LCKFYNGABRR1ALDH1A1 | |
| Acetic Acid SCHEMBL2392018 | 0.86 | FFAR3 (0.44) | FFAR3LCKFYNGABRR1ALDH1A1 | |
| SCHEMBL362849 | 0.83 | — | — | |
| SCHEMBL4318147 | 0.83 | — | — | |
| SCHEMBL4320194 | 0.83 | — | — | |
| Acetic Acid SCHEMBL852247 | 0.80 | ALDH1A1 (0.48) | SLC1A3SLC1A2SLC1A1GABRR1ALDH1A1 | |
| Acetic Acid SCHEMBL5674651 | 0.80 | ALDH1A1 (0.48) | SLC1A3SLC1A2SLC1A1GABRR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991000729-A2 | BIS-DIOXOPIPERAZINES, AND THEIR USE AS PROTECTING AGENTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | disclosed |
| EP-0409499-A2 | Pharmaceutical compositions | BTG INTERNATIONAL LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |