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 SCHEMBL28032096 | 0.95 | CA1 (0.90) | — | |
| Acetic Acid SCHEMBL5705621 | 0.95 | CA1 (0.90) | — | |
| Acetic Acid SCHEMBL19745013 | 0.95 | CA1 (0.90) | — | |
| Acetic Acid SCHEMBL2805390 | 0.95 | — | — | |
| Acetic Acid SCHEMBL21859116 | 0.95 | — | — | |
| Acetic Acid SCHEMBL11736752 | 0.95 | CA1 (0.90) | — | |
| Acetic Acid SCHEMBL6028740 | 0.91 | — | — | |
| Acetic Acid SCHEMBL8000761 | 0.91 | — | — | |
| Acetic Acid SCHEMBL1332530 | 0.91 | — | — | |
| Acetic Acid SCHEMBL1964006 | 0.91 | CA1 (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106620729-B | A kind of inorganic-inorganic nano-hybrid material and the preparation method and application thereof of double mesoporous core-shell structures | 上海大学 | 2019-06-25 | — | — | CN | claimed |
| CN-106620729-A | Inorganic-inorganic nano hybrid material of bimodal mesoporous core-shell structure as well as preparation method and application of inorganic-inorganic nano hybrid material | 上海大学 | 2017-05-10 | — | — | CN | claimed |
| CN-106620729-B | A kind of inorganic-inorganic nano-hybrid material and the preparation method and application thereof of double mesoporous core-shell structures | 上海大学 | 2019-06-25 | — | — | CN | disclosed |
| CN-106620729-A | Inorganic-inorganic nano hybrid material of bimodal mesoporous core-shell structure as well as preparation method and application of inorganic-inorganic nano hybrid material | 上海大学 | 2017-05-10 | — | — | CN | disclosed |