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 SCHEMBL11867112 | 0.88 | — | — | |
| Acetone SCHEMBL28144340 | 0.87 | — | — | |
| Benzene SCHEMBL28144341 | 0.85 | LMNA (0.43) | — | |
| Benzene SCHEMBL28024640 | 0.79 | BLM (0.50) | — | |
| Methacrylic Acid SCHEMBL21835888 | 0.79 | TDP1 (0.40) | — | |
| Sulfuric Acid SCHEMBL7640374 | 0.78 | FFAR3 (0.64) | — | |
| Sulfuric Acid SCHEMBL10378486 | 0.78 | FFAR3 (0.64) | — | |
| Sulfuric Acid SCHEMBL282882 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL164130 | 0.78 | FFAR3 (0.64) | — | |
| Sulfuric Acid SCHEMBL27833533 | 0.78 | FFAR3 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100584830-C | Gabanergic modulators | HOFFMANN LA ROCHE LLC | 2010-01-27 | — | — | CN | disclosed |
| CN-1852897-A | Gamma-aminobutyric acid modulators | ROCHE PALO ALTO LLC (CH) | 2006-10-25 | — | — | CN | disclosed |
| US-6576662-B2 | Novel derivatives of andrographolide | DR. REDDY'S LABORATORIES LIMITED (IN) | 2003-06-10 | — | — | US | disclosed |
| US-20020016324-A1 | Compounds having anticancer activity : process for their preparation and pharmaceutical compositions containing them | DR. REDDY'S RESEARCH FOUNDATION | 2002-02-07 | — | — | US | disclosed |
| US-5252739-A | Process for preparing pyridine-2,3-dicarboxylic acid compounds | SUGAI CHEMICAL IND. CO., LTD. (JP) | 1993-10-12 | — | — | US | disclosed |
| US-5175300-A | Reacting a halo-oxalactic ester with 2-propenal and ammonia; cyclization | SUGAI CHEMICAL IND. CO., LTD. (JP) | 1992-12-29 | — | — | US | disclosed |