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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | LDHB | P07195 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL440101 | 0.90 | MCL1 (0.33) | MAOATSHRALDH1A1 | |
| SCHEMBL9577023 | 0.76 | CYP3A4 (0.38) | GAATSHRALDH1A1MAPTMAPK1 | |
| Acetic Acid SCHEMBL8809437 | 0.72 | ALDH1A1 (0.41) | GAATSHRALDH1A1MAPTMAPK1 | |
| SCHEMBL8349290 | 0.64 | SELL (0.46) | MAOAGAATSHRALDH1A1MAPT | |
| SCHEMBL10694592 | 0.63 | SELL (0.40) | GAAALDH1A1MAPT | |
| SCHEMBL12818447 | 0.62 | — | — | |
| SCHEMBL11406430 | 0.61 | EP300 (0.36) | GAATSHRALDH1A1MAPTMAPK1 | |
| Acetic Acid SCHEMBL27770916 | 0.60 | ALDH1A1 (0.52) | GAATSHRALDH1A1MAPTMAPK1 | |
| SCHEMBL23214050 | 0.59 | TTR (0.48) | TSHRALDH1A1 | |
| SCHEMBL6382828 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0014745-B1 | CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE | DIAMOND SHAMROCK CORPORATION (US) | 1983-05-25 | — | — | EP | disclosed |
| EP-0014745-A1 | Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide | DIAMOND SHAMROCK CORPORATION (US) | 1980-09-03 | — | — | EP | disclosed |
| US-4177173-A | INFUSIBLE FILMS, CASTINGS OR ADHESIVES | DIAMOND SHAMROCK CORPORATION (US) | 1979-12-04 | — | — | US | disclosed |