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 | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.58 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 3/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | DDO | Q99489 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | TAF1 | P21675 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.41 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL129649 | 0.88 | AHR (0.56) | KEAP1PDPK1BCHEAHRBACE1 | |
| SCHEMBL29364263 | 0.88 | AHR (0.56) | KEAP1PDPK1BCHEAHRBACE1 | |
| Methane SCHEMBL27911669 | 0.86 | AHR (0.54) | KEAP1PDPK1BCHEAHRBACE1 | |
| Formic Acid SCHEMBL29178525 | 0.85 | KEAP1 (0.49) | KEAP1PDPK1BCHEAHRBACE1 | |
| Acetic Acid SCHEMBL23646036 | 0.81 | KEAP1 (0.58) | KEAP1PDPK1BCHEAHRBACE1 | |
| SCHEMBL9117203 | 0.81 | KEAP1 (0.62) | KEAP1PDPK1BCHEBACE1BRPF1 | |
| Pyridine SCHEMBL28517156 | 0.80 | AHR (0.44) | KEAP1PDPK1BCHEAHRBRPF1 | |
| Acetic Acid SCHEMBL27461652 | 0.80 | AHR (0.75) | KEAP1PDPK1BCHEAHRBACE1 | |
| Acetic Acid SCHEMBL27953390 | 0.80 | KEAP1 (0.56) | KEAP1PDPK1BCHEAHRBACE1 | |
| SCHEMBL30690400 | 0.76 | KEAP1 (0.70) | KEAP1PDPK1BCHEAHRBACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101040037-B | Organic compounds | GIVAUDAN SA | 2010-08-18 | — | — | CN | claimed |
| CN-101040037-A | Organic compounds | GIVAUDAN SA (CH) | 2007-09-19 | — | — | CN | claimed |
| WO-1995034658-A1 | MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION | GENENCOR INTERNATIONAL, INC. (US) | 1995-12-21 | — | — | WO | disclosed |