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 | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA6 | P23280 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA5A | P35218 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 SCHEMBL28839058 | 1.00 | PAOX (0.54) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL28262529 | 0.98 | PAOX (0.52) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL6429271 | 0.94 | PAOX (0.53) | PAOXCA12CA6CA7CA9 | |
| Bicarbonate SCHEMBL5085155 | 0.93 | CA12 (0.50) | PAOXCA12CA6CA7CA9 | |
| Pentane SCHEMBL27483685 | 0.91 | CA12 (0.48) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL3657736 | 0.90 | CA12 (0.59) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL9100273 | 0.90 | CA12 (0.59) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL863599 | 0.90 | CA12 (0.59) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL18288 | 0.90 | CA12 (0.59) | PAOXCA12CA6CA7CA9 | |
| Acetic Acid SCHEMBL1565417 | 0.90 | CA12 (0.59) | PAOXCA12CA6CA7CA9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9786398-B2 | Nanocomposite solid material based on hexa- and octa-cyanometallates, method for the preparation thereof and method for fixing mineral pollutants using said material | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2017-10-10 | — | — | US | disclosed |
| US-8545762-B2 | Sensor for detecting compounds | BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) | 2013-10-01 | — | — | US | disclosed |
| EP-2433287-B1 | SOLID NANOCOMPOSITE MATERIAL ON THE BASIS OF HEXA-AND OCTACYANOMETALLATES, THEIR PREPARATION METHOD AND METHOD FOR IMMOBILIZING MINERAL POLLUANTS BY USING THE SAME | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2013-03-13 | — | — | EP | disclosed |
| US-20120125856-A1 | NANOCOMPOSITE SOLID MATERIAL BASED ON HEXA- AND OCTA- CYANOMETALLATES, METHOD FOR THE PREPARATION THEREOF AND METHOD FOR FIXING MINERAL POLLUTANTS USING SAID MATERIAL | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-05-24 | — | — | US | disclosed |
| EP-2433287-A2 | SOLID HEXA- AND OCTACYANOMETALLATE NANOCOMPOSITE MATERIAL, METHOD FOR PREPARING SAME, AND METHOD FOR FIXING INORGANIC POLLUTANTS IMPLEMENTING SAME | Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010133689-A2 | SOLID HEXA- AND OCTACYANOMETALLATE NANOCOMPOSITE MATERIAL, METHOD FOR PREPARING SAME, AND METHOD FOR FIXING INORGANIC POLLUTANTS IMPLEMENTING SAME | Commissariat à l'énergie atomique et aux énergies alternatives (FR) | 2010-11-25 | — | — | WO | disclosed |
| US-20060154414-A1 | Sensor for detecting compounds | BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY | 2006-07-13 | — | — | US | disclosed |
| WO-2004099754-A2 | SENSOR FOR DETECTING COMPOUNDS | NORTHERN ILLINOIS UNIVERSITY (US) | 2004-11-18 | — | — | WO | disclosed |