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 | |
|---|---|---|---|---|
| SCHEMBL19096872 | 0.97 | — | — | |
| SCHEMBL25290497 | 0.84 | GAA (0.32) | — | |
| Acetic Acid SCHEMBL19096922 | 0.83 | USP2 (0.40) | — | |
| Acetic Acid SCHEMBL17318879 | 0.82 | — | — | |
| SCHEMBL17319029 | 0.82 | — | — | |
| SCHEMBL18445940 | 0.80 | — | — | |
| Acetic Acid SCHEMBL20598307 | 0.79 | HPGD (0.38) | — | |
| Acetic Acid SCHEMBL20598515 | 0.79 | HPGD (0.38) | — | |
| Acetic Acid SCHEMBL20598516 | 0.79 | HPGD (0.38) | — | |
| Acetic Acid SCHEMBL20598309 | 0.79 | HPGD (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3149005-A1 | AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015185208-A1 | AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2015-12-10 | — | — | WO | disclosed |