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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 SCHEMBL37323 | 0.97 | CES1 (0.44) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL28279262 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL21836054 | 0.95 | CA1 (0.48) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL28521370 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL2139863 | 0.95 | CA1 (0.48) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL17491792 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL31411090 | 0.95 | CA1 (0.48) | CES1CA1CES2FFAR3HDAC3 | |
| Butanedione SCHEMBL21839440 | 0.93 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL28184776 | 0.91 | CES1 (0.39) | CES1CA1CES2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL27704869 | 0.90 | CA1 (0.46) | CES1CA1CES2FFAR3HDAC3 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979844-B1 | Dispersant for the production of aqueous pigment pastes | GOLDSCHMIDT AG TH (DE) | 2002-06-05 | — | — | EP | disclosed |
| EP-0764662-B1 | Polymethacrylic acid esters, containing in the alpha and omega position, ester groups which are different from those in the main chain | GOLDSCHMIDT AG TH (DE) | 2002-03-13 | — | — | EP | disclosed |
| US-6235813-B1 | Dispersants for preparing aqueous pigment pastes | TH. GOLDSCHMIDT AG (DE) | 2001-05-22 | — | — | US | disclosed |
| EP-0979844-A2 | Dispersant for the production of aqueous pigment pastes | Th. Goldschmidt AG (DE) | 2000-02-16 | — | — | EP | disclosed |
| US-6005065-A | COATINGS; WEAR RESISTANCE, SOLVENT RESISTANCE, RESISTANCE TOACID ETCHING | PPG INDUSTRIES OHIO, INC. (US) | 1999-12-21 | — | — | US | disclosed |
| US-5990245-A | POLYMETHACRYLATES HAVING A CHAIN TRANSFER MERCAPTOALKANOL ON ONE END AND A GLYCOL ESTER INTERCHANGED ON THE OTHER; ALSO USED TO MODIFY ALKYD AND EPOXY RESINS; ADDITION-CONDENSATION COPOLYMERS; BLOCK POLYMERS | TH. GOLDSCHMIDT AG (DE) | 1999-11-23 | — | — | US | disclosed |
| US-5859174-A | USEFUL IN COATING COMPOSITIONS; CURABLE WITH AMINOPLASTS | PPG INDUSTRIES, INC. (US) | 1999-01-12 | — | — | US | disclosed |
| EP-0679675-B1 | Polymethacrylic acid ester-polysiloxane block copolymers, their preparation and use as modifier and paint additive | GOLDSCHMIDT AG TH (DE) | 1998-07-29 | — | — | EP | disclosed |
| US-5721321-A | TRANSESTERIFICATION | TH. GOLDSCHMIDT AG (DE) | 1998-02-24 | — | — | US | disclosed |
| WO-1998003471-A1 | AMIDE FUNCTIONAL MONOMERS AND ACRYLIC POLYMERS WITH AMIDE FUNCTIONALITY | PPG INDUSTRIES, INC. (US) | 1998-01-29 | — | — | WO | disclosed |
| EP-0622378-B1 | Alpha, omega-polymethacrylatediols, process for their preparation and their use for preparing polymers, in particular polyurethanes and polyesters | GOLDSCHMIDT AG TH (DE) | 1997-09-24 | — | — | EP | disclosed |
| US-5633325-A | Polymethacrylate esters, the ester groups of which in the α and optionally also in the ω position differ from the ester groups in the chain | TH. GOLDSCHMIDT AG. (DE) | 1997-05-27 | — | — | US | disclosed |
| EP-0764662-A2 | Polymethacrylic acid esters, containing in the alpha and omega position, ester groups which are different from those in the main chain | Th. Goldschmidt AG (DE) | 1997-03-26 | — | — | EP | disclosed |
| US-5583184-A | Polymethacrylate esters, the ester groups of which in the α and optionally also in the ω position differ from the ester groups in the chain | TH. GOLDSCHMIDT AG. (DE) | 1996-12-10 | — | — | US | disclosed |
| US-5571872-A | ESTER INTERCHANGE OF BLOCK COPOLYMERS | TH. GOLDSCHMIDT AG (DE) | 1996-11-05 | — | — | US | disclosed |
| EP-0613910-B1 | Poly methacrylic acid ester , containing, in the alpha and optionally in the omega position, ester groups which are different from those in the main chain | GOLDSCHMIDT AG TH (DE) | 1996-08-28 | — | — | EP | disclosed |
| US-5523373-A | BLENDS WITH CURED ACRYLIC RESINS; SLIPPAGE, SCRATCH AND CHEMICAL RESISTANCE; WATER- AND WEATHERPROOFING; ADHESION | TH. GOLDSCHMIDT AG (DE) | 1996-06-04 | — | — | US | disclosed |
| EP-0679675-A1 | Polymethacrylic acid ester-polysiloxane block copolymers, their preparation and use as modifier and paint additive | Th. Goldschmidt AG (DE) | 1995-11-02 | — | — | EP | disclosed |
| EP-0622378-A1 | Alpha, omega-polymethacrylatediols, process for their preparation and their use for preparing polymers, in particular polyurethanes and polyesters | Th. Goldschmidt AG (DE) | 1994-11-02 | — | — | EP | disclosed |
| EP-0613910-A2 | Poly methacrylic acid ester , containing, in the alpha and optionally in the omega position, ester groups which are different from those in the main chain | Th. Goldschmidt AG (DE) | 1994-09-07 | — | — | EP | disclosed |