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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.42 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALPG | P10696 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CRAT | P43155 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11740655 | 0.90 | TP53 (0.44) | CA1BBOX1SLC22A16TP53CA2 | |
| Bicarbonate SCHEMBL2445124 | 0.90 | BBOX1 (0.44) | CA1BBOX1SLC22A16CA4TP53 | |
| Oxalic Acid SCHEMBL1052161 | 0.88 | BBOX1 (0.42) | CA1BBOX1SLC22A16CA4TP53 | |
| L-Lactic Acid SCHEMBL3820373 | 0.85 | BBOX1 (0.41) | CA1BBOX1SLC22A16CA4TP53 | |
| Acetic Acid SCHEMBL4634989 | 0.85 | CA1 (0.47) | CA1BBOX1SLC22A16CA4TP53 | |
| Acetic Acid SCHEMBL3015309 | 0.85 | CA1 (0.47) | CA1BBOX1SLC22A16CA4TP53 | |
| Methacrylic Acid SCHEMBL3952323 | 0.82 | BBOX1 (0.35) | CA1BBOX1SLC22A16CA4TSHR | |
| Acetic Acid SCHEMBL17273374 | 0.80 | CA1 (0.42) | CA1BBOX1SLC22A16CA4TP53 | |
| Bicarbonate SCHEMBL28072653 | 0.80 | TP53 (0.47) | CA1BBOX1TP53CA2TSHR | |
| Acetic Acid SCHEMBL11574110 | 0.79 | — | — |
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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113265037-B | Polyisocyanate composition and preparation method and application thereof | 万华化学（宁波）有限公司 | 2023-03-24 | — | — | CN | claimed |
| WO-2022241616-A1 | POLYISOCYANATE COMPOSITION, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 万华化学（宁波）有限公司 | 2022-11-24 | — | — | WO | claimed |
| CN-115246793-A | Preparation method of diisocyanate trimer, catalyst and preparation method thereof | 山东新和成精化科技有限公司 | 2022-10-28 | — | — | CN | claimed |
| CN-113698572-A | Polyisocyanate composition, preparation method and application | 万华化学（宁波）有限公司 | 2021-11-26 | — | — | CN | claimed |
| CN-113265037-A | Polyisocyanate composition and preparation method and application thereof | 万华化学（宁波）有限公司 | 2021-08-17 | — | — | CN | claimed |
| EP-3548575-A1 | ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES | Momentive Performance Materials Inc. (US) | 2019-10-09 | — | — | EP | claimed |
| WO-2018102510-A1 | ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2018-06-07 | — | — | WO | claimed |
| US-20180148601-A1 | ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES | MOMENTIVE PERFORMANCE MATERIALS INC. | 2018-05-31 | — | — | US | claimed |
| CN-118184955-A | Preparation method of solvent-diluted storage-stable polyisocyanate composition, polyisocyanate composition and application | 万华化学集团股份有限公司 | 2024-06-14 | — | — | CN | disclosed |
| US-11939490-B2 | Curable surface-protective coating composition, processes for its preparation and application to a metallic substrate and resulting coated metallic substrate | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2024-03-26 | — | — | US | disclosed |
| CN-117343279-A | Preparation method of low-color-number ultralow-free monomer polyisocyanate | 万华化学集团股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-117343278-A | Storage-stable polyisocyanate composition and preparation method thereof | 万华化学集团股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-114249868-B | Storage-stable polyisocyanate composition and preparation method thereof | 万华化学集团股份有限公司 | 2023-12-19 | — | — | CN | disclosed |
| CN-113265037-B | Polyisocyanate composition and preparation method and application thereof | 万华化学（宁波）有限公司 | 2023-03-24 | — | — | CN | disclosed |
| US-7405258-B2 | Method for producing polyurethane emulsion for aqueous one-component coating agent | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2008-07-29 | — | — | US | disclosed |
| WO-2008070060-A2 | DEVICE MANUFACTURING PROCESS UTILIZING A DOUBLE PATTERING PROCESS | FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) | 2008-06-12 | — | — | WO | disclosed |
| US-20070155894-A1 | Method for producing polyurethane emulsion for aqueous one-component coating agent | NIPPON POLYURETHANE INDUSTRY CO., LTD. | 2007-07-05 | — | — | US | disclosed |
| EP-1721947-A1 | PROCESS FOR PRODUCING POLYURETHANE EMULSION FOR WATER-BASED ONE-PACK TYPE COATING MATERIAL | Nippon Polyurethane Industry Co., Ltd. (JP) | 2006-11-15 | — | — | EP | disclosed |
| US-6596819-B2 | An isocyanate group-terminated prepolymer having isocyanurate group and urethane group, obtained by reacting an organic polyisocyanate containing at least (a1) an aromatic diisocyanate with an active hydrogen group-containing compound | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2003-07-22 | — | — | US | disclosed |
| US-20030083451-A1 | Polyisocyanate curing agent for laminate adhesive and process for production thereof | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2003-05-01 | — | — | US | disclosed |