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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 3/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9549765 | 0.84 | RAD52 (0.50) | CHRM1CHRM2CHRM3KDM4EALDH1A1 | |
| SCHEMBL10340378 | 0.79 | CHRM1 (0.47) | CHRM1CHRM2CHRM3ALDH1A1LMNA | |
| Acetic Acid SCHEMBL9549696 | 0.78 | RAD52 (0.55) | CHRM1CHRM2CHRM3KDM4EALDH1A1 | |
| SCHEMBL9549600 | 0.77 | CHRM2 (0.44) | CHRM1CHRM2CHRM3LTA4HKDM4E | |
| Acetic Acid SCHEMBL9549688 | 0.77 | RAD52 (0.53) | CHRM1CHRM2CHRM3KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL9549719 | 0.75 | CHRM2 (0.48) | CHRM1CHRM2CHRM3ALDH1A1LMNA | |
| Ethyl Acetate SCHEMBL9063181 | 0.75 | ALDH1A1 (0.52) | ALDH1A1LMNATSHRCYP3A4 | |
| SCHEMBL27684225 | 0.74 | CHRM2 (0.60) | CHRM1CHRM2CHRM3MCHR1ALDH1A1 | |
| Acetic Acid SCHEMBL9549791 | 0.74 | ALDH1A1 (0.44) | CHRM1KDM4EALDH1A1RAD52CYP3A4 | |
| Ethyl Acetate SCHEMBL811125 | 0.73 | ALDH1A1 (0.54) | ALDH1A1LMNATSHRCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5208317-A | Molding materials of cured epoxy resins | THE DOW CHEMICAL COMPANY (US) | 1993-05-04 | — | — | US | disclosed |
| US-5109099-A | ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST | THE DOW CHEMICAL COMPANY (US) | 1992-04-28 | — | — | US | disclosed |
| EP-0441243-A2 | Precatalyzed catalyst compositions, process for preparing epoxy resins, curable compositions, articles resulting from curing the resultant compositions | THE DOW CHEMICAL COMPANY (US) | 1991-08-14 | — | — | EP | disclosed |
| US-4981926-A | Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides | THE DOW CHEMICAL COMPANY (US) | 1991-01-01 | — | — | US | disclosed |