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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.35 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9543168 | 0.94 | ALDH1A1 (0.42) | ALDH1A1BCHEACHEPGRCHRM2 | |
| Bromide SCHEMBL9463871 | 0.92 | ACHE (0.41) | ALDH1A1BCHEACHECHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL11428687 | 0.92 | ALDH1A1 (0.44) | ALDH1A1BCHEACHECHRM5CHRM1 | |
| SCHEMBL5281875 | 0.81 | BCHE (0.50) | BCHEACHE | |
| SCHEMBL9463800 | 0.80 | ALDH1A1 (0.41) | ALDH1A1BCHEACHECHRNA7 | |
| SCHEMBL7074344 | 0.80 | BCHE (0.54) | BCHEACHE | |
| Iodide SCHEMBL3774348 | 0.80 | BCHE (0.48) | BCHEACHE | |
| SCHEMBL20066354 | 0.80 | BCHE (0.54) | BCHEACHE | |
| SCHEMBL15745533 | 0.77 | ALDH1A1 (0.35) | ALDH1A1BCHEACHEPGRCHRM2 | |
| Hydrochloric Acid SCHEMBL5674656 | 0.76 | THRB (0.46) | ALDH1A1BCHEACHESMN1; SMN2TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0883594-B1 | PROCESS FOR THE PRODUCTION OF 1,2-DIACETOXY ESTERS | EASTMAN CHEM CO (US) | 2001-09-05 | — | — | EP | disclosed |
| US-6072079-A | REACTING 3,4-EPOXY-1-BUTENE WITH ACETIC ANHYDRIDE IN PRESENCE OF POTASSIUM ACETATE FORMED IN SITU FROM POTASSIUM CARBONATE, POTASSIUM BICARBONATE AND/OR POTASSIUM HYDROXIDE | EASTMAN CHEMICAL COMPANY (US) | 2000-06-06 | — | — | US | disclosed |
| EP-0883594-A1 | PROCESS FOR THE PRODUCTION OF 1,2-DIACETOXY ESTERS | EASTMAN CHEMICAL COMPANY (US) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997031885-A1 | PROCESS FOR THE PRODUCTION OF 1,2-DIACETOXY ESTERS | EASTMAN CHEMICAL COMPANY (US) | 1997-09-04 | — | — | WO | disclosed |
| US-5663422-A | FROM EPOXIDE AND ACETIC ANHYDRIDE, PHOSPHONIUM ACETATE CATALYST | EASTMAN CHEMICAL COMPANY (US) | 1997-09-02 | — | — | US | disclosed |
| US-5623086-A | WITH COCATALYST MIXTURE CONTAINING TERTIARY AMINE(SALT) AND CONJUGATE ACID OF REACTANT ANHYDRIDE | EASTMAN CHEMICAL COMPANY (US) | 1997-04-22 | — | — | US | disclosed |