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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9252083 | 0.94 | — | — | |
| Acetic Acid SCHEMBL5874701 | 0.85 | FFAR3 (0.37) | — | |
| Bicarbonate SCHEMBL2588842 | 0.76 | TSHR (0.35) | — | |
| Acetic Acid SCHEMBL8742323 | 0.74 | — | — | |
| Oxalic Acid SCHEMBL5875016 | 0.74 | TSHR (0.33) | — | |
| Methacrylic Acid SCHEMBL10482702 | 0.74 | THRB (0.31) | — | |
| Acetic Acid SCHEMBL11793754 | 0.74 | TSHR (0.35) | — | |
| Acetic Acid SCHEMBL7872018 | 0.73 | FFAR3 (0.50) | — | |
| Water SCHEMBL1246621 | 0.73 | TSHR (0.41) | — | |
| Propionic Acid SCHEMBL3844797 | 0.73 | FFAR3 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4532217-A | Biological uses of shift reagents for the nuclear magnetic resonance of physiological metal cations | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1985-07-30 | — | — | US | disclosed |