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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3280418 | 0.91 | POLB (0.55) | POLBCYP3A4CYP2C9CES2CES1 | |
| SCHEMBL11262719 | 0.89 | POLB (0.53) | POLBCYP3A4CYP2C9CES2CES1 | |
| Trifluoroacetic Acid SCHEMBL11271702 | 0.88 | POLB (0.44) | POLBCA2CA4CYP3A4CYP2C9 | |
| Acetic Acid SCHEMBL11270809 | 0.82 | POLB (0.47) | POLBCA2CA4CYP3A4CYP2C9 | |
| SCHEMBL3278222 | 0.80 | POLB (0.41) | POLBSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11256613 | 0.79 | MAPT (0.54) | POLBSMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL3285839 | 0.77 | CYP3A4 (0.53) | POLBCYP3A4CYP2C9MEN1KMT2A | |
| SCHEMBL9504787 | 0.73 | ALOX5 (0.50) | POLBMEN1MAPTKMT2A | |
| Acetic Acid SCHEMBL11258107 | 0.73 | RAB9A (0.43) | CA2CA4CES2CES1SMN1; SMN2 | |
| SCHEMBL3280275 | 0.72 | TP53 (0.45) | POLBSMN1; SMN2MEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4365082-A | CATALYTIC OXIDATION, ESTERIFICATION | INSTITUT FRANCAIS DU PETROLE (FR) | 1982-12-21 | — | — | US | claimed |
| US-4365082-A | CATALYTIC OXIDATION, ESTERIFICATION | INSTITUT FRANCAIS DU PETROLE (FR) | 1982-12-21 | — | — | US | disclosed |