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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 SCHEMBL37323 | 0.97 | CES1 (0.44) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL17491792 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL21836054 | 0.95 | CA1 (0.48) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL7541149 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL2139863 | 0.95 | CA1 (0.48) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL31411090 | 0.95 | CA1 (0.48) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL28521370 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Butanedione SCHEMBL21839440 | 0.93 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL28184776 | 0.91 | CES1 (0.39) | CES1CA1CES2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL27704869 | 0.90 | CA1 (0.46) | CES1CA1CES2FFAR3HDAC3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109485836-A | A kind of polyether-ether-ketone modified water-based alkyd resin and preparation method thereof | 合众（佛山）化工有限公司 | 2019-03-19 | — | — | CN | disclosed |