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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL642696 | 0.81 | — | — | |
| Sulfuric Acid SCHEMBL15820440 | 0.78 | TSHR (0.36) | MEN1TSHRKMT2A | |
| Acetic Acid SCHEMBL3626180 | 0.78 | CA1 (0.57) | CA1KDM4ETSHRKMT2ACA4 | |
| Bromide SCHEMBL5323671 | 0.78 | — | — | |
| Water SCHEMBL6572613 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1983463 | 0.78 | — | — | |
| Acetic Acid SCHEMBL5182819 | 0.78 | CA1 (0.64) | CA1KDM4EMEN1TSHRKMT2A | |
| SCHEMBL2225649 | 0.78 | HIF1A (0.43) | KDM4E | |
| SCHEMBL8200673 | 0.78 | HIF1A (0.43) | KDM4E | |
| Iodide SCHEMBL4299812 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2934469-A2 | ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS | Colgate-Palmolive Company (US) | 2015-10-28 | — | — | EP | claimed |
| WO-2014098871-A2 | ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS | COLGATE-PALMOLIVE COMPANY (US) | 2014-06-26 | — | — | WO | claimed |