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 SCHEMBL367116 | 1.00 | — | — | |
| Acetic Acid SCHEMBL4305966 | 0.94 | — | — | |
| Acetic Acid SCHEMBL16552449 | 0.89 | — | — | |
| Acetic Acid SCHEMBL137422 | 0.89 | — | — | |
| Acetic Acid SCHEMBL11339879 | 0.89 | FFAR3 (0.78) | — | |
| Acetic Acid SCHEMBL10488853 | 0.89 | — | — | |
| Acetic Acid SCHEMBL5481671 | 0.89 | — | — | |
| Acetic Acid SCHEMBL11288986 | 0.89 | — | — | |
| Acetic Acid SCHEMBL5389203 | 0.89 | — | — | |
| Acetic Acid SCHEMBL7056890 | 0.89 | — | — |
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-5952387-A | AN AQUEOUS SOLUTION COMPRISING AN OPTICAL ACTIVE ALPHA-((TERT-BUTYLAMINO)METHYL)-2-CHLORO-4-HYDROXYBENZYL ALCOHOL; USE AS A UTERINE RELAXING AGENT, BLADDER RELAXING AGENT; THERAPEUTIC TREATMENT OF PREMATURE LABOR | HOKURIKU SEIYAKU CO., LTD. (JP) | 1999-09-14 | — | — | US | disclosed |