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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.89 |
| ▸ | ACHE | P22303 | 12/20 | 0.56 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11653539 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL12635224 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL1894163 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL12195976 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL10816925 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL25270995 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL4616449 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL11319803 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL28553320 | 0.94 | EPHX1 (1.00) | EPHX1ACHENAAATSHRFAAH | |
| SCHEMBL1170169 | 0.92 | EPHX1 (0.96) | EPHX1ACHENAAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009082346-A1 | NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 | ASTRAZENECA AB (SE) | 2009-07-02 | — | — | WO | disclosed |