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 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CES2 | O00748 | 5/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 SCHEMBL8837575 | 0.91 | CES2 (0.44) | CES1CA1CES2ALDH1A1CA2 | |
| Acetic Acid SCHEMBL62981 | 0.90 | CES1 (0.44) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL23327569 | 0.90 | CES1 (0.44) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL11663016 | 0.90 | CES1 (0.44) | CES1CA1CES2FFAR3HDAC3 | |
| Methacrylic Acid SCHEMBL9363872 | 0.87 | TSHR (0.36) | CES1CA1CES2CA2 | |
| Acetic Acid SCHEMBL10615948 | 0.86 | CES1 (0.41) | CES1CA1CES2FFAR3HDAC3 | |
| Fumaric Acid SCHEMBL11053356 | 0.85 | CA1 (0.37) | CES1CA1CES2 | |
| Fumaric Acid SCHEMBL11053404 | 0.85 | CA1 (0.37) | CES1CA1CES2 | |
| Acetic Acid SCHEMBL11052089 | 0.83 | CES1 (0.46) | CES1CA1CES2ALDH1A1CA2 | |
| Acrylic Acid SCHEMBL9364267 | 0.83 | TSHR (0.38) | CES1CA1CES2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-56043552-A | — | — | None | — | — | JP | disclosed |
| JP-S5643552-A | MOISTURE SENSING SEMICONDUCTOR ELEMENT AND ITS PREPARATION | HITACHI LTD | 1981-04-22 | — | — | JP | disclosed |