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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
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 SCHEMBL15575237 | 0.90 | — | — | |
| Acetic Acid SCHEMBL15575424 | 0.88 | — | — | |
| Acetic Acid SCHEMBL15575641 | 0.88 | — | — | |
| Acetic Acid SCHEMBL1662200 | 0.83 | GPR84 (0.32) | — | |
| Acetic Acid SCHEMBL16058065 | 0.83 | ABCB11 (0.31) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| Acetic Acid SCHEMBL1661239 | 0.79 | GPR84 (0.37) | — | |
| Acetic Acid SCHEMBL2934214 | 0.79 | GPR84 (0.33) | — | |
| Acetic Acid SCHEMBL16712238 | 0.78 | GPR84 (0.36) | — | |
| Acetic Acid SCHEMBL15575644 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15575257 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014035498-A1 | LIGNIN MEMBRANES AND COATINGS | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2014-03-06 | — | — | WO | disclosed |