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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL2065877 | 0.88 | — | — | |
| Bromide SCHEMBL28516070 | 0.85 | — | — | |
| Iodide SCHEMBL28514467 | 0.85 | — | — | |
| Water SCHEMBL319960 | 0.85 | — | — | |
| Acetic Acid SCHEMBL25280990 | 0.81 | MEN1 (0.35) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| Acetic Acid SCHEMBL2682620 | 0.77 | MEN1 (0.33) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| Acetic Acid SCHEMBL1982442 | 0.77 | MEN1 (0.33) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL28322893 | 0.76 | — | — | |
| Acetic Acid SCHEMBL241364 | 0.75 | FFAR3 (0.44) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL9869570 | 0.74 | — | — |
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 38 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 |
| US-8519062-B2 | Elastomeric materials having a high hardblock content and process for preparing them | HUNTSMAN INTERNATIONAL LLC (US) | 2013-08-27 | — | — | US | disclosed |
| EP-2591029-A1 | POLYISOCYANATE-BASED ANTI-CORROSION COATING | Huntsman International LLC (US) | 2013-05-15 | — | — | EP | disclosed |
| WO-2009101027-A1 | ELASTOMERIC MATERIALS HAVING A HIGH HARDBLOCK CONTENT AND PROCESS FOR PREPARING THEM | HUNTSMAN INTERNATIONAL LLC (US) | 2009-08-20 | — | — | WO | disclosed |
| WO-2008110604-A1 | POLYISOCYANATE-BASED ADHESIVE | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008110602-A1 | POLYISOCYANATE-BASED ADHESIVE | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008110605-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 |
| 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 |