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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 8/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 7/20 | 0.39 |
| ▸ | PPARA | Q07869 | 7/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9796471 | 0.97 | AKR1B1 (0.39) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL6860570 | 0.97 | AKR1B1 (0.42) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL1154135 | 0.97 | AKR1B1 (0.42) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL114460 | 0.97 | AKR1B1 (0.42) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL28334359 | 0.95 | AKR1B1 (0.40) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL6865097 | 0.95 | AKR1B1 (0.40) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL28521369 | 0.95 | CES1 (0.44) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL28200026 | 0.95 | AKR1B1 (0.40) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL948487 | 0.95 | CES1 (0.44) | AKR1B1PPARDGPR84PPARGPPARA | |
| Acetic Acid SCHEMBL17491791 | 0.95 | AKR1B1 (0.40) | AKR1B1PPARDGPR84PPARGPPARA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235813-B1 | Dispersants for preparing aqueous pigment pastes | TH. GOLDSCHMIDT AG (DE) | 2001-05-22 | — | — | US | 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| US-3991040-A | Aromatic imidodicarboxylic acid diallyl esters, prepolymers thereof, cured resins thereof, and processes for producing these | TEIJIN LIMITED (JA) | 1976-11-09 | — | — | US | disclosed |
| US-3931224-A | Aromatic imidodicarboxylic acid diallyl esters, prepolymers thereof, cured resins thereof, and processes for producing these | TEIJIN LIMITED (JA) | 1976-01-06 | — | — | US | disclosed |