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 SCHEMBL27413211 | 0.92 | CA1 (0.61) | — | |
| Acetic Acid SCHEMBL7699130 | 0.92 | — | — | |
| Acetic Acid SCHEMBL28245878 | 0.92 | CA1 (0.61) | — | |
| Acetic Acid SCHEMBL1680190 | 0.92 | — | — | |
| Acetic Acid SCHEMBL11138131 | 0.89 | — | — | |
| Acetic Acid SCHEMBL11138126 | 0.89 | CA1 (0.57) | — | |
| Acetic Acid SCHEMBL8860320 | 0.89 | CA1 (0.57) | — | |
| Acetic Acid SCHEMBL8860331 | 0.89 | — | — | |
| Acetic Acid SCHEMBL6852068 | 0.85 | — | — | |
| Bicarbonate SCHEMBL28321875 | 0.84 | — | — |
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-6780345-B2 | COMPRISES LITHIUM-/SODIUM-/POTASSIUM-/MAGNESIUM-/CALCIUM-/ BERYLLIUM-/ALUMINUM- AND/OR AMMONIUM BICARBONATE | HAYES CLAUDE Q C (US) | 2004-08-24 | — | — | US | disclosed |