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 | 3/20 | 0.44 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL1050654 | 0.89 | BBOX1 (0.43) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Bicarbonate SCHEMBL31088022 | 0.89 | BBOX1 (0.43) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL5571744 | 0.86 | BBOX1 (0.46) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Methacrylic Acid SCHEMBL4921851 | 0.85 | BBOX1 (0.38) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Tributylmethylammonium SCHEMBL557386 | 0.84 | BBOX1 (0.50) | CA1BBOX1CES1CES2 | |
| Oxalic Acid SCHEMBL1050657 | 0.84 | BBOX1 (0.40) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Acetic Acid SCHEMBL3684341 | 0.83 | CA1 (0.44) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Acetic Acid SCHEMBL27957649 | 0.83 | DNM1 (0.46) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Tributylmethylammonium SCHEMBL9790243 | 0.82 | BBOX1 (0.48) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Acetic Acid SCHEMBL5574989 | 0.82 | BBOX1 (0.48) | BBOX1CES1CES2 |
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 31 patents — showing the first 20. 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 |
| CN-101501092-B | Catalyst composition for polyurethane resin production and method for producing polyurethane resin | TOSOH CORP | 2011-09-28 | — | — | CN | claimed |
| CN-1860147-B | Catalyst composition for manufacturing rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam, and raw material formulation composition using the same | TOSOH CORP | 2010-06-16 | — | — | CN | 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 |
| CN-101501092-A | Catalyst composition for polyurethane resin production and method for producing polyurethane resin | TOSOH CORP (JP) | 2009-08-05 | — | — | CN | 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 |
| CN-1860147-A | Catalyst composition for manufacturing rigid polyurethane foam and isocyanurate-modified rigid polyurethane foam, and raw material formulation composition using the same | TOSOH CORP (JP) | 2006-11-08 | — | — | CN | 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 |
| EP-4045000-A1 | SOLUTION OF CELLULOSE IN A QUATERNARY AMMONIUM COMPOUND AND A CO-SOLVENT | BASF SE (DE) | 2022-08-24 | — | — | EP | disclosed |
| WO-2021073961-A1 | SOLUTION OF CELLULOSE IN A QUATERNARY AMMONIUM COMPOUND AND A CO-SOLVENT | BASF SE (DE) | 2021-04-22 | — | — | 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-7132473-B2 | Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 2006-11-07 | — | — | 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 |
| EP-1568744-A1 | COMPOSITION FOR POROUS FILM FORMATION, POROUS FILM, PROCESS FOR PRODUCING THE SAME, INTERLAYER INSULATION FILM AND SEMICONDUCTOR DEVICE | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 2005-08-31 | — | — | EP | disclosed |
| US-20040219372-A1 | Composition for forming porous film, porous film and method for forming the same, interlevel insulator film, and semiconductor device | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. | 2004-11-04 | — | — | US | disclosed |