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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.41 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 7/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1477274 | 0.93 | TSHR (0.63) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Bromide SCHEMBL1252844 | 0.91 | TSHR (0.61) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Iodide SCHEMBL1254266 | 0.91 | TSHR (0.61) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Fluoride Ion SCHEMBL1254984 | 0.91 | TSHR (0.61) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Hydrochloric Acid SCHEMBL129464 | 0.91 | TSHR (0.61) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Water SCHEMBL31228290 | 0.91 | TSHR (0.61) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Chloromethane SCHEMBL27843306 | 0.89 | TSHR (0.59) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Hydrochloric Acid SCHEMBL27418780 | 0.89 | TSHR (0.59) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| Sulfuric Acid SCHEMBL6476934 | 0.88 | TSHR (0.53) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL28592182 | 0.88 | TSHR (0.53) | TSHRALDH1A1CYP3A4HPGDTP53 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8053046-B2 | Ink for inkjet printing, ink set for inkjet printing, inkjet recording material and producing method for inkjet recording material, and inkjet recording method | FUJIFILM CORPORATION (JP) | 2011-11-08 | — | — | US | disclosed |
| US-20100247816-A1 | INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD | FUJIFILM CORPORATION (JP) | 2010-09-30 | — | — | US | disclosed |
| US-20100173104-A1 | MANUFACTURING METHOD OF RECORDING MEDIUM, INKJET RECORDING MEDIUM, AND METHOD OF MANUFACTURING THE SAME | FUJIFILM CORPORATION (JP) | 2010-07-08 | — | — | US | disclosed |
| EP-2004416-B1 | INKJET RECORDING MEDIUM, AND METHOD OF MANUFACTURING THE SAME | FUJIFILM CORP (JP) | 2010-05-05 | — | — | EP | disclosed |
| EP-2004416-A4 | MANUFACTURING METHOD OF RECORDING MEDIUM, INKJET RECORDING MEDIUM, AND METHOD OF MANUFACTURING THE SAME | FUJIFILM CORP (JP) | 2009-08-05 | — | — | EP | disclosed |
| EP-1668085-A4 | INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD. | FUJIFILM CORP (JP) | 2009-05-06 | — | — | EP | disclosed |
| EP-2004416-A1 | MANUFACTURING METHOD OF RECORDING MEDIUM, INKJET RECORDING MEDIUM, AND METHOD OF MANUFACTURING THE SAME | FUJIFILM Corporation (JP) | 2008-12-24 | — | — | EP | disclosed |
| EP-1706464-A4 | INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD | FUJIFILM CORP (JP) | 2008-01-16 | — | — | EP | disclosed |
| WO-2007116776-A1 | MANUFACTURING METHOD OF RECORDING MEDIUM, INKJET RECORDING MEDIUM, AND METHOD OF MANUFACTURING THE SAME | FUJIFILM CORPORATION (JP) | 2007-10-18 | — | — | WO | disclosed |
| US-20070167537-A1 | Ink for ink jet, a method for produing ink for ink jet, ink set for ink jet, and ink jet recording method | FUJI PHOTO FILM CO., LTD. (JP) | 2007-07-19 | — | — | US | disclosed |
| US-20070052783-A1 | Ink for inkjet printing ink set for inkjet printing inkjet recording material and producing method for inkjet recording material and inkjet recording method | FUJIFILM CORPORATION (JP) | 2007-03-08 | — | — | US | disclosed |
| EP-1706464-A1 | INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD | FUJI PHOTO FILM CO., LTD. (JP) | 2006-10-04 | — | — | EP | disclosed |
| EP-1668085-A1 | INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD. | FUJI PHOTO FILM CO., LTD. (JP) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005061635-A1 | INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD | FUJI PHOTO FILM CO., LTD. (JP) | 2005-07-07 | — | — | WO | disclosed |
| WO-2005030888-A1 | INK FOR INKJET PRINTING, INK SET FOR INKJET PRINTING, INKJET RECORDING MATERIAL AND PRODUCING METHOD FOR INKJET RECORDING MATERIAL, AND INKJET RECORDING METHOD. | FUJI PHOTO FILM CO., LTD. (JP) | 2005-04-07 | — | — | WO | disclosed |