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 SCHEMBL11460405 | 0.93 | FFAR3 (0.50) | — | |
| Acetone SCHEMBL27258686 | 0.87 | — | — | |
| Acetic Acid SCHEMBL25186108 | 0.85 | — | — | |
| Pyruvate SCHEMBL27721572 | 0.85 | — | — | |
| Oxalic Acid SCHEMBL28329921 | 0.83 | — | — | |
| Bromoethane SCHEMBL27589223 | 0.83 | — | — | |
| Bicarbonate SCHEMBL28167171 | 0.83 | — | — | |
| Bicarbonate SCHEMBL28150887 | 0.83 | — | — | |
| Acetic Acid SCHEMBL8736141 | 0.82 | FFAR3 (0.70) | — | |
| Acetic Acid SCHEMBL9051977 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022244690-A1 | POLY(ETHYLENE GLYCOL)-b-POLY(4-NYLON) AND NANOPARTICLES THEREOF | 国立大学法人筑波大学 | 2022-11-24 | — | — | WO | disclosed |
| CN-102652116-A | Methods and compositions for complex bonding of metal ions | CHEMSEQ INTERNAT AB | 2012-08-29 | — | — | CN | disclosed |
| CN-101374856-A | Inhibiting tumor cell invasion, metastasis and angiogenesis | SCRIPPS RESEARCH INST (US) | 2009-02-25 | — | — | CN | disclosed |
| US-20040224918-A1 | Anti-mycobacterial compounds | YATVIN MILTON B (US) | 2004-11-11 | — | — | US | disclosed |
| US-6689760-B1 | ANALOGS FOR NICOTINAMIDE ADENINE DINUCLEOTIDE; TUBERCULOSIS | ENZREL INC. | 2004-02-10 | — | — | US | disclosed |
| WO-2002004478-A1 | ANTI-MYCOBACTERIAL COMPOUNDS | ENZREL, INC. (US) | 2002-01-17 | — | — | WO | disclosed |