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.
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7761714 | 0.91 | ALDH1A1 (0.46) | — | |
| Bicarbonate SCHEMBL28408643 | 0.91 | — | — | |
| Bicarbonate SCHEMBL28403504 | 0.91 | — | — | |
| Bicarbonate SCHEMBL702706 | 0.91 | — | — | |
| Acetic Acid SCHEMBL27333843 | 0.88 | ALDH1A1 (0.38) | — | |
| Methacrylic Acid SCHEMBL22445074 | 0.85 | ALDH1A1 (0.39) | — | |
| Methacrylic Acid SCHEMBL22445075 | 0.85 | ALDH1A1 (0.39) | — | |
| Acetic Acid SCHEMBL7533517 | 0.84 | ALDH1A1 (0.50) | — | |
| Acetic Acid SCHEMBL696492 | 0.84 | ALDH1A1 (0.50) | — | |
| Acetic Acid SCHEMBL696493 | 0.84 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113149823-A | 2-R1Preparation method of valeric acid | 上海青平药业有限公司 | 2021-07-23 | — | — | CN | disclosed |
| US-4045419-A | MERCURY, SELENIUM, OR TELLURIUM CATALYST | HALCON INTERNATIONAL, INC. (US) | 1977-08-30 | — | — | US | disclosed |