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 | |
|---|---|---|---|---|
| SCHEMBL3442757 | 0.88 | — | — | |
| Ethyl Acetate SCHEMBL8646727 | 0.86 | ALDH1A1 (0.38) | — | |
| Toluene SCHEMBL8434612 | 0.85 | CHRM2 (0.33) | — | |
| Chloroform SCHEMBL10565649 | 0.81 | — | — | |
| SCHEMBL3670240 | 0.73 | — | — | |
| SCHEMBL28585612 | 0.71 | ALDH1A1 (0.33) | ARG1ARG2 | |
| SCHEMBL14521248 | 0.67 | SIGMAR1 (0.30) | — | |
| Acetic Acid SCHEMBL435529 | 0.67 | SIGMAR1 (0.48) | — | |
| SCHEMBL7298809 | 0.67 | CYP1A2 (0.39) | ARG1ARG2 | |
| SCHEMBL23524386 | 0.66 | CA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6790971-B1 | AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY | AVENTIS PHARMA S.A. (FR) | 2004-09-14 | — | — | US | disclosed |