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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.73 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
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 SCHEMBL261008 | 0.95 | CA1 (0.80) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL1022163 | 0.91 | CA1 (0.73) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL10428030 | 0.91 | CA1 (0.73) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL11438862 | 0.91 | CA1 (0.82) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL10621969 | 0.91 | CA1 (0.73) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL9875410 | 0.87 | CA1 (0.67) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL9446676 | 0.87 | CA1 (0.67) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL8853012 | 0.86 | CA1 (0.80) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL2219989 | 0.86 | CA1 (0.80) | CA1CA4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL8852919 | 0.86 | CA1 (0.80) | CA1CA4FFAR3LCKFYN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5656037-A | WATER INSOLUBLE MIXTURE COMPRISING MAGNESIUM PEROXYACETATE AND MAGNESIUM DIHYDROPEROXIDE; PROTECTIVE COATINGS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1997-08-12 | — | — | US | disclosed |
| WO-1997024285-A1 | REACTION PRODUCTS OF MAGNESIUM ACETATE AND HYDROGEN PEROXIDE FOR IMPARTING ANTIBACTERIAL ACTIVITY TO FIBROUS SUBSTRATES | THE UNITED STATES OF AMERICA, REPRESENTED BY TH (US) | 1997-07-10 | — | — | WO | disclosed |