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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL28130761 | 0.91 | FFAR3 (0.36) | — | |
| SCHEMBL522616 | 0.88 | — | — | |
| SCHEMBL295659 | 0.88 | — | — | |
| Levulinic Acid SCHEMBL28963776 | 0.87 | LMNA (0.42) | — | |
| Hydrochloric Acid SCHEMBL6986442 | 0.86 | — | — | |
| Iodide SCHEMBL29069910 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28198127 | 0.86 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL28351575 | 0.78 | — | — | |
| SCHEMBL11515644 | 0.77 | USP2 (0.31) | — | |
| SCHEMBL8748298 | 0.76 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104530076-B | (3aS, 6aR)-1,3-dibenzyl tetrahydrochysene-4H-thieno [3,4-d] imidazoles-2,4-(1H) synthetic method of-diketone | 新发药业有限公司 | 2016-08-17 | — | — | CN | claimed |
| CN-104530076-B | (3aS, 6aR)-1,3-dibenzyl tetrahydrochysene-4H-thieno [3,4-d] imidazoles-2,4-(1H) synthetic method of-diketone | 新发药业有限公司 | 2016-08-17 | — | — | CN | disclosed |