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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.93 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5168901 | 0.96 | ALDH1A1 (0.93) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| SCHEMBL5098171 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| SCHEMBL5098181 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| SCHEMBL2048901 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| SCHEMBL15617 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| Methacrylic Acid SCHEMBL28593113 | 0.95 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| Methacrylic Acid SCHEMBL180731 | 0.95 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| Methacrylic Acid SCHEMBL21811332 | 0.95 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRTHRB | |
| Benzene SCHEMBL7777595 | 0.95 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRMGLL | |
| Methacrylic Acid SCHEMBL6743789 | 0.95 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRTHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-113845329-A | Anti-corrosion additive for tunnel lining concrete, preparation method and application thereof | 江苏苏博特新材料股份有限公司 | 2021-12-28 | — | — | CN | disclosed |
| CN-110240813-A | Dye dispersion liquid composition, self-luminous photosensitive polymer combination, color conversion layer, colour filter and display device | 东友精细化工有限公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-110095936-A | Photosensitive composition, colour filter and image display device | 东友精细化工有限公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-109952360-A | Quantum dot dispersion liquid, self-luminous photosensitive polymer combination, the colour filter and image display device manufactured using it | 东友精细化工有限公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-108624320-A | Quantum dot and application thereof with organic ligand | 东友精细化工有限公司 | 2018-10-09 | — | — | CN | disclosed |
| US-9487609-B2 | Premixes suitable for the production of membrane materials | ISP INVESTMENTS LLC (US) | 2016-11-08 | — | — | US | disclosed |
| US-20120077893-A1 | Premixes Suitable for the Production of Membrane Materials | ISP INVESTMENTS INC. (US) | 2012-03-29 | — | — | US | disclosed |
| WO-2010111607-A1 | PREMIXES SUITABLE FOR THE PRODUCTION OF MEMBRANE MATERIALS | ISP INVESTMENTS INC. (US) | 2010-09-30 | — | — | WO | disclosed |
| US-20050112409-A1 | Magnetic recording medium | FUJI PHOTO FILM CO., LTD. | 2005-05-26 | — | — | US | disclosed |
| EP-0897376-B1 | HIGH SOLUBILITY SIZE COMPOSITION FOR FIBERS | OWENS CORNING COMPOSITES SPRL (BE) | 2002-01-16 | — | — | EP | disclosed |
| EP-0991603-B1 | HIGH SOLUBILITY SIZE COMPOSITION FOR FIBERS | OWENS CORNING COMPOSITES SPRL (BE) | 2001-12-12 | — | — | EP | disclosed |
| EP-1049752-A1 | UV CURABLE ELASTOMER COMPOSITION | DUPONT DOW ELASTOMERS L.L.C. (US) | 2000-11-08 | — | — | EP | disclosed |
| EP-0991603-A1 | HIGH SOLUBILITY SIZE COMPOSITION FOR FIBERS | Owens-Corning Composites S.P.R.L. (BE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999037731-A1 | UV CURABLE ELASTOMER COMPOSITION | DUPONT DOW ELASTOMERS L.L.C. (US) | 1999-07-29 | — | — | WO | disclosed |
| EP-0897376-A1 | HIGH SOLUBILITY SIZE COMPOSITION FOR FIBERS | Owens-Corning Composites S.P.R.L. (BE) | 1999-02-24 | — | — | EP | disclosed |
| WO-1998055415-A1 | HIGH SOLUBILITY SIZE COMPOSITION FOR FIBERS | N.V. OWENS-CORNING S.A. (BE) | 1998-12-10 | — | — | WO | disclosed |
| WO-1997042129-A1 | HIGH SOLUBILITY SIZE COMPOSITION FOR FIBERS | N.V. OWENS-CORNING S.A. (BE) | 1997-11-13 | — | — | WO | disclosed |
| US-5548013-A | HEAT RESISTANCE, LOW TEMPERATURE IMPACT RESISTANCE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-08-20 | — | — | US | disclosed |
| US-5391607-A | Graft polymer, epoxy group-containing copolymer, saturated polyester, crystalline polypropylene; heat resistance, low temperature impact resistance | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-02-21 | — | — | US | disclosed |
| US-4595730-A | Thermoplastic resin; low temperature, shock resistance; flexibility | ATOCHEM (FR) | 1986-06-17 | — | — | US | disclosed |