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 | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.44 |
| ▸ | ADH1C | P00326 | 1/20 | 0.44 |
| ▸ | ADH1A | P07327 | 1/20 | 0.44 |
| ▸ | ADH4 | P08319 | 1/20 | 0.44 |
| ▸ | ADH7 | P40394 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13725523 | 0.91 | ADH1B (0.47) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL13587256 | 0.91 | ADH1B (0.47) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL1068405 | 0.91 | ADH1B (0.47) | ADH1BADH1CADH1AADH4ADH7 | |
| Hydrochloric Acid SCHEMBL6273268 | 0.89 | ADH1B (0.46) | ADH1BADH1CADH1AADH4ADH7 | |
| Acetic Acid SCHEMBL11113366 | 0.86 | CNR2 (0.45) | ACE2GPR84FFAR1FAAHMAPT | |
| SCHEMBL4840256 | 0.85 | TAS1R3 (0.41) | ADH1BADH1CADH1AADH4ADH7 | |
| Acetic Acid SCHEMBL1123274 | 0.83 | GPR84 (0.42) | ACE2GPR84FFAR1FAAHMAPT | |
| SCHEMBL11681448 | 0.82 | ADH1B (0.50) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL9252302 | 0.82 | ADH1B (0.50) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL27586792 | 0.82 | ADH1B (0.50) | ADH1BADH1CADH1AADH4ADH7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0123688-A1 | BIOLOGICAL AGENTS OF INCREASED EFFICACY | Wheatley Chemical Company Limited (GB) | 1984-11-07 | — | — | EP | disclosed |
| EP-0123688-A1 | BIOLOGICAL AGENTS OF INCREASED EFFICACY | Wheatley Chemical Company Limited (GB) | 1984-11-07 | — | — | EP | disclosed |
| WO-1984001490-A1 | BIOLOGICAL AGENTS OF INCREASED EFFICACY | WHEATLEY CHEMICAL CO LTD (GB) | 1984-04-26 | — | — | WO | disclosed |
| WO-1984001490-A1 | BIOLOGICAL AGENTS OF INCREASED EFFICACY | WHEATLEY CHEMICAL CO LTD (GB) | 1984-04-26 | — | — | WO | disclosed |