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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
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 SCHEMBL9848338 | 0.99 | SIGMAR1 (0.50) | SIGMAR1CYP1A2CYP2D6LMNAALDH1A1 | |
| Phosphoric Acid SCHEMBL9549735 | 0.88 | SIGMAR1 (0.54) | SIGMAR1CYP1A2CYP2D6LMNAALDH1A1 | |
| Bromide SCHEMBL9549787 | 0.88 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2D6LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL9549734 | 0.88 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2D6LMNAALDH1A1 | |
| Acetic Acid SCHEMBL9549692 | 0.85 | ALDH1A1 (0.46) | SIGMAR1CYP1A2CYP2D6ALDH1A1TSHR | |
| Acetic Acid SCHEMBL9848369 | 0.84 | ALDH1A1 (0.45) | SIGMAR1CYP1A2CYP2D6ALDH1A1TSHR | |
| Bromide SCHEMBL9851216 | 0.82 | SIGMAR1 (0.58) | SIGMAR1CYP1A2CYP2D6LMNAMAPT | |
| Acetic Acid SCHEMBL3786910 | 0.81 | ALDH1A1 (0.49) | CYP1A2CYP2D6ALDH1A1TSHRCYP2C19 | |
| Acetic Acid SCHEMBL7871075 | 0.81 | ALDH1A1 (0.49) | CYP1A2CYP2D6ALDH1A1TSHRCYP2C19 | |
| Acetic Acid SCHEMBL10949251 | 0.81 | ALDH1A1 (0.49) | CYP1A2CYP2D6ALDH1A1TSHRCYP2C19 |
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 |