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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 2/20 | 0.46 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.44 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5574248 | 1.00 | GRIK1 (0.46) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Acetic Acid SCHEMBL5570508 | 1.00 | GRIK1 (0.46) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Acetic Acid SCHEMBL29267988 | 1.00 | GRIK1 (0.46) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Acetic Acid SCHEMBL14840286 | 1.00 | GRIK1 (0.46) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Acetic Acid SCHEMBL5574227 | 1.00 | GRIK1 (0.46) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Acetic Acid SCHEMBL5574982 | 0.98 | GRIK1 (0.44) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Bicarbonate SCHEMBL26929177 | 0.94 | GRIK1 (0.47) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Bicarbonate SCHEMBL6737994 | 0.94 | GRIK1 (0.47) | GRIK1GRIK2ACE2GPR84FFAR1 | |
| Acetic Acid SCHEMBL5574282 | 0.92 | CA2 (0.45) | GRIK1GRIK2ACE2GPR84SLC1A2 | |
| Propionic Acid SCHEMBL5571637 | 0.91 | GPR84 (0.46) | GRIK1GRIK2ACE2GPR84FFAR1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1669383-B1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | TOSOH CORP (JP) | 2014-11-12 | — | — | EP | claimed |
| US-8779018-B2 | Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam and raw-material composition containing the same | TOSOH CORPORATION (JP) | 2014-07-15 | — | — | US | claimed |
| EP-2050775-B1 | CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN | TOSOH CORP (JP) | 2013-08-14 | — | — | EP | claimed |
| US-20120035289-A1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | TOSOH CORPORATION (JP) | 2012-02-09 | — | — | US | claimed |
| US-20100130629-A1 | CATALYST COMPOSITION FOR PRODUCTION OF POLYURETHANE RESIN AND METHOD FOR PRODUCING POLYURETHANE RESIN (AS AMENDED) | TOSOH CORPORATION (JP) | 2010-05-27 | — | — | US | claimed |
| EP-2050775-A1 | CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN | Tosoh Corporation (JP) | 2009-04-22 | — | — | EP | claimed |
| US-20070112085-A1 | Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polysurethane foam and raw-material composition containing the same | TOSOH CORPORATION (JP) | 2007-05-17 | — | — | US | claimed |
| EP-1669383-A1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | Tosoh Corporation (JP) | 2006-06-14 | — | — | EP | claimed |
| WO-2021256254-A1 | MODIFIED POLYISOCYANATE COMPOSITION AND COATING COMPOSITION USING SAME | 東ソー株式会社 | 2021-12-23 | — | — | WO | disclosed |
| EP-1669383-B1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | TOSOH CORP (JP) | 2014-11-12 | — | — | EP | disclosed |
| US-8877825-B2 | Catalyst composition for production of polyurethane resin and method for producing polyurethane resin | TOSOH CORPORATION (JP) | 2014-11-04 | — | — | US | disclosed |
| US-8779018-B2 | Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam and raw-material composition containing the same | TOSOH CORPORATION (JP) | 2014-07-15 | — | — | US | disclosed |
| EP-2050775-B1 | CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN | TOSOH CORP (JP) | 2013-08-14 | — | — | EP | disclosed |
| US-20120035289-A1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | TOSOH CORPORATION (JP) | 2012-02-09 | — | — | US | disclosed |
| US-20100130629-A1 | CATALYST COMPOSITION FOR PRODUCTION OF POLYURETHANE RESIN AND METHOD FOR PRODUCING POLYURETHANE RESIN (AS AMENDED) | TOSOH CORPORATION (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2050775-A1 | CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN | Tosoh Corporation (JP) | 2009-04-22 | — | — | EP | disclosed |
| US-20070112085-A1 | Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polysurethane foam and raw-material composition containing the same | TOSOH CORPORATION (JP) | 2007-05-17 | — | — | US | disclosed |
| EP-1669383-A1 | CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME | Tosoh Corporation (JP) | 2006-06-14 | — | — | EP | disclosed |