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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.45 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20915296 | 0.91 | GPR84 (0.44) | GPR84ACE2 | |
| SCHEMBL18647883 | 0.91 | GPR84 (0.44) | GPR84ACE2 | |
| SCHEMBL20936521 | 0.91 | GPR84 (0.44) | GPR84ACE2 | |
| SCHEMBL20936415 | 0.91 | GPR84 (0.44) | GPR84ACE2 | |
| SCHEMBL20915249 | 0.91 | GPR84 (0.44) | GPR84ACE2 | |
| SCHEMBL20915547 | 0.91 | GPR84 (0.44) | GPR84ACE2 | |
| SCHEMBL20915527 | 0.91 | GPR84 (0.44) | GPR84ACE2 | |
| SCHEMBL16799873 | 0.79 | MAPT (0.37) | GPR84ACE2FFAR1MAPTLCK | |
| SCHEMBL18551463 | 0.75 | LMNA (0.33) | GPR84 | |
| SCHEMBL4941600 | 0.75 | GPR84 (0.34) | GPR84FFAR1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0684945-A1 | HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1995-12-06 | — | — | EP | disclosed |