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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL272420 | 0.87 | TSHR (0.39) | TSHR | |
| Bromide SCHEMBL7214856 | 0.84 | TSHR (0.37) | TSHR | |
| Hydrochloric Acid SCHEMBL11584438 | 0.84 | TSHR (0.37) | TSHR | |
| Acetic Acid SCHEMBL320125 | 0.80 | CA1 (0.40) | CA1SLC22A16TSHRCYP3A4NFKB1 | |
| Acetic Acid SCHEMBL319520 | 0.80 | CA1 (0.40) | CA1SLC22A16TSHRCYP3A4NFKB1 | |
| SCHEMBL9003640 | 0.77 | TSHR (0.38) | TSHRALDH1A1 | |
| Acetic Acid SCHEMBL9721985 | 0.73 | CA1 (0.50) | CA1TSHRCYP3A4NFKB1NPSR1 | |
| Acetic Acid SCHEMBL15826259 | 0.72 | PSMD14 (0.33) | CA1SLC22A16CYP3A4BBOX1 | |
| SCHEMBL9417419 | 0.70 | CYP3A4 (0.37) | CA1TSHRCYP3A4NFKB1NPSR1 | |
| Acetic Acid SCHEMBL1032630 | 0.69 | CA1 (0.53) | CA1TSHRCYP3A4NFKB1NPSR1 |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20150125704-A1 | Polyisocyanate-Based Anti-Corrosion Coating | HUNTSMAN INTERNATIONAL LLC | 2015-05-07 | — | — | US | disclosed |
| US-8962142-B2 | Polyisocyanate-based anti-corrosion coating | HUNTSMAN INTERNATIONAL LLC (US) | 2015-02-24 | — | — | US | disclosed |
| CN-102482489-B | Materials comprising a matrix and process for preparing them | HUNTSMAN INT LLC | 2014-02-19 | — | — | CN | disclosed |
| CN-101945910-B | Elastomeric materials having high hardblock content and process for making them | HUNTSMAN INT LLC | 2013-09-18 | — | — | CN | disclosed |
| WO-2008110604-A1 | POLYISOCYANATE-BASED ADHESIVE | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-18 | — | — | WO | disclosed |
| EP-1970420-A1 | Polyisocyanate-based adhesive composition | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-17 | — | — | EP | 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 |
| US-20070155894-A1 | Method for producing polyurethane emulsion for aqueous one-component coating agent | NIPPON POLYURETHANE INDUSTRY CO., LTD. | 2007-07-05 | — | — | US | disclosed |
| CN-1930257-A | Process for producing polyurethane emulsion for water-based one-pack type coating material | NIPPON POLYURETHANE KOGYO KK (JP) | 2007-03-14 | — | — | CN | 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 |
| CN-1241990-C | Polyisocyanate curing agent for laminated material adhesive and its preparation method | NIPPON POLYURETHANE KOGYO KK (JP) | 2006-02-15 | — | — | CN | 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 |
| CN-1396210-A | Polyisocyanate curing agent for laminated material adhesive and its preparation method | NIPPON POLYURETHANE KOGYO KK (JP) | 2003-02-12 | — | — | CN | disclosed |