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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL11271706 | 0.88 | POLB (0.44) | POLBCA2CA4CYP3A4CYP2C9 | |
| SCHEMBL11256620 | 0.84 | MAPT (0.53) | POLBSMN1; SMN2ALDH1A1HPGD | |
| Acetic Acid SCHEMBL11263006 | 0.82 | POLB (0.47) | POLBCA2CA4CYP3A4CYP2C9 | |
| Acetic Acid SCHEMBL11258107 | 0.76 | RAB9A (0.43) | CA2CA4CES2CES1SMN1; SMN2 | |
| SCHEMBL11122024 | 0.72 | POLB (0.56) | POLBCYP3A4CYP2C9CES2CES1 | |
| Benzoic Acid SCHEMBL32677583 | 0.72 | CA2 (0.76) | CA2CA4CES2CES1ALDH1A1 | |
| Benzoic Acid SCHEMBL32677582 | 0.72 | CA2 (0.76) | CA2CA4CES2CES1ALDH1A1 | |
| SCHEMBL9500714 | 0.71 | POLB (0.47) | POLBCYP3A4CYP2C9CES2CES1 | |
| Trifluoroacetic Acid SCHEMBL11271702 | 0.71 | POLB (0.44) | POLBCA2CA4CYP3A4CYP2C9 | |
| SCHEMBL3280418 | 0.71 | POLB (0.55) | POLBCYP3A4CYP2C9CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4365082-A | CATALYTIC OXIDATION, ESTERIFICATION | INSTITUT FRANCAIS DU PETROLE (FR) | 1982-12-21 | — | — | US | disclosed |