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 SCHEMBL699962 | 0.88 | — | — | |
| Acetic Acid SCHEMBL1674512 | 0.88 | FFAR3 (1.00) | — | |
| Acetic Acid SCHEMBL7472549 | 0.88 | — | — | |
| Acetic Acid SCHEMBL41073 | 0.88 | FFAR3 (1.00) | — | |
| Acetic Acid SCHEMBL6788 | 0.88 | FFAR3 (1.00) | — | |
| Acetic Acid SCHEMBL8742314 | 0.88 | FFAR3 (1.00) | — | |
| Acetic Acid SCHEMBL1331719 | 0.88 | — | — | |
| Acetic Acid SCHEMBL11142541 | 0.88 | FFAR3 (1.00) | — | |
| Acetic Acid SCHEMBL1331810 | 0.88 | — | — | |
| Acetic Acid SCHEMBL1330415 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110392681-B | Tosylacetate-based compounds and derivatives thereof as PHGDH inhibitors | 勃林格殷格翰国际有限公司 | 2022-11-25 | — | — | CN | disclosed |