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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CES1 | P23141 | 7/20 | 0.36 |
| ▸ | CES2 | O00748 | 6/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 SCHEMBL2467666 | 0.91 | CES1 (0.41) | CA1CES1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL2460295 | 0.88 | CES1 (0.42) | CA1CES1CES2TSHR | |
| Acetic Acid SCHEMBL5999260 | 0.88 | CES1 (0.42) | CA1CES1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL9295256 | 0.88 | CES1 (0.42) | CA1CES1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL8630860 | 0.88 | CES1 (0.42) | CA1CES1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL2465384 | 0.86 | CES2 (0.44) | CA1CES1CES2TSHR | |
| Acetic Acid SCHEMBL2465729 | 0.86 | CES2 (0.44) | CA1CES1CES2TSHR | |
| Acetic Acid SCHEMBL2466008 | 0.86 | CES2 (0.44) | CA1CES1CES2TSHR | |
| Acetic Acid SCHEMBL2466806 | 0.86 | CES2 (0.44) | CA1CES1CES2TSHR | |
| Acetic Acid SCHEMBL2465467 | 0.86 | CES2 (0.44) | CA1CES1CES2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-8013085-B2 | addition polymerization of ethylenically unsaturated monomers in an aqueous medium in the presence of polymer particles and at least one dispersant; polymer powders used as additives in adhesives, seals, plasters, renderings, paper coatings or paints | BASF AKTIENGESELLSCHAFT (DE) | 2011-09-06 | — | — | US | disclosed |
| US-20060264558-A1 | Method for the production of an aqueous polymer dispersion | BASF AKTIENGESELLSCHAFT (DE) | 2006-11-23 | — | — | US | disclosed |
| US-20040167259-A1 | Method for producing aqueous copolymer dispersions of copolymers consisting of carbon monoxide and olefinically unsaturated compounds | BASF AKTIENGESELLSCHAFT (DE) | 2004-08-26 | — | — | US | disclosed |