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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.33 |
| ▸ | 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 |
| ▸ | 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 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 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 SCHEMBL9501836 | 0.88 | BBOX1 (0.39) | CA1BBOX1CA4SLC22A16CA2 | |
| L-Lactic Acid SCHEMBL3820376 | 0.82 | TP53 (0.38) | CA1BBOX1CA4SLC22A16CA2 | |
| SCHEMBL10643640 | 0.80 | BBOX1 (0.35) | BBOX1SLC22A16SMN1; SMN2ALDH1A1 | |
| SCHEMBL144709 | 0.79 | — | — | |
| Acetic Acid SCHEMBL11368283 | 0.78 | CA1 (0.53) | CA1BBOX1CA4CA2TSHR | |
| Water SCHEMBL190437 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL190899 | 0.75 | — | — | |
| SCHEMBL9752218 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2439108 | 0.75 | — | — | |
| Tetramethylammonium Ion SCHEMBL106975 | 0.75 | — | — |
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 47 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-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 |
| CN-113698572-A | Polyisocyanate composition, preparation method and application | 万华化学（宁波）有限公司 | 2021-11-26 | — | — | CN | disclosed |
| 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 | disclosed |
| US-10717880-B2 | Polyisocyanate-based anti-corrosion coating | HUNTSMAN INTERNATIONAL LLC (US) | 2020-07-21 | — | — | US | disclosed |
| US-10030094-B2 | Polyisocyanurate-based syntactic coating for offshore applications | HUNTSMAN INTERNATIONAL LLC (US) | 2018-07-24 | — | — | US | disclosed |
| US-9926479-B2 | Materials comprising a matrix and process for preparing them | HUNTSMAN INTERNATIONAL LLC (US) | 2018-03-27 | — | — | US | disclosed |
| US-9534072-B2 | Polyisocyanate-based adhesive | HUNTSMAN INTERNATIONAL LLC (US) | 2017-01-03 | — | — | US | disclosed |
| EP-2300509-B1 | A POLYISOCYANURATE-BASED SYNTACTIC COATING FOR OFFSHORE APPLICATIONS | HUNTSMAN INT LLC (US) | 2016-08-10 | — | — | EP | disclosed |
| EP-2245081-B1 | ELASTOMERIC MATERIALS HAVING A HIGH HARDBLOCK CONTENT AND PROCESS FOR PREPARING THEM | HUNTSMAN INT LLC (US) | 2015-09-16 | — | — | EP | disclosed |
| EP-1970420-A1 | Polyisocyanate-based adhesive composition | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-17 | — | — | EP | disclosed |
| US-20080199814-A1 | Device manufacturing process utilizing a double patterning process | FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. | 2008-08-21 | — | — | US | 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 |