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.
Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL12019294 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL14808476 | 0.84 | KDM1A (0.32) | — | |
| Hydrochloric Acid SCHEMBL14808397 | 0.83 | DRD3 (0.36) | DRD3 | |
| SCHEMBL27148659 | 0.74 | DRD3 (0.30) | DRD3 | |
| Tert-Butyl Formate SCHEMBL28027171 | 0.74 | TDP1 (0.42) | DRD3 | |
| SCHEMBL5245447 | 0.70 | CHRNB2 (0.35) | PNMT | |
| Piperazine SCHEMBL23356456 | 0.68 | FFAR3 (0.50) | — | |
| SCHEMBL10881206 | 0.68 | DRD3 (0.43) | DRD3 | |
| Acetic Acid SCHEMBL998512 | 0.68 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL7456705 | 0.68 | FFAR3 (0.58) | — |
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-105189498-A | Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors | MERCK SHARP & DOHME | 2015-12-23 | — | — | CN | disclosed |