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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SI | P14410 | 2/20 | 0.45 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Malonic Acid Diethyl Ester SCHEMBL15375727 | 0.88 | GAA (0.60) | MGAMGAASIMGAM2MAPT | |
| Ethyl Acetate SCHEMBL5905816 | 0.82 | ALDH1A1 (0.54) | MGAMGAASIMGAM2MAPT | |
| Isopropyl Alcohol SCHEMBL4264567 | 0.82 | GAA (0.61) | MGAMGAASIMGAM2ALDH1A1 | |
| Isopropyl Alcohol SCHEMBL4612528 | 0.82 | GAA (0.61) | MGAMGAASIMGAM2ALDH1A1 | |
| Acetic Acid SCHEMBL7442100 | 0.82 | GAA (0.67) | MGAMGAASIMGAM2MAPT | |
| Acetic Acid SCHEMBL485053 | 0.81 | GAA (0.50) | MGAMGAASIMGAM2MAPT | |
| Propylene Glycol SCHEMBL28529479 | 0.80 | GAA (0.54) | MGAMGAASIMGAM2MAPT | |
| Butanol SCHEMBL28641145 | 0.80 | GAA (0.54) | MGAMGAASIMGAM2MAPT | |
| Isopropyl Alcohol SCHEMBL28910121 | 0.80 | GAA (0.58) | MGAMGAASIMGAM2ALDH1A1 | |
| Isopropyl Alcohol SCHEMBL28670127 | 0.80 | GAA (0.58) | MGAMGAASIMGAM2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070155882-A1 | Curable liquid composition, cured film, and antistatic laminate | JSR CORPORATION (JP) | 2007-07-05 | — | — | US | disclosed |
| EP-1611212-A1 | CURABLE LIQUID COMPOSITION, CURED FILM, AND ANTISTATIC LAMINATE | DSM IP Assets B.V. (NL) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004090053-A1 | CURABLE LIQUID COMPOSITOIN, CURED FILM, AND ANTISTATIC LAMINATE | DSM IP ASSETS B.V. (NL) | 2004-10-21 | — | — | WO | disclosed |