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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 11/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | PPM1G | O15355 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | PTPRO | Q16827 | 1/20 | 0.37 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5486571 | 0.94 | PRSS1 (0.44) | NQO2KDM4EALDH1A1GAAL3MBTL1 | |
| Acetic Acid SCHEMBL5490243 | 0.82 | NQO2 (0.74) | NQO2ALDH1A1PRMT1 | |
| SCHEMBL5491185 | 0.81 | KDM4E (0.38) | NQO2KDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL14599568 | 0.81 | PRSS1 (0.58) | NQO2KDM4EALDH1A1GAAL3MBTL1 | |
| Acetic Acid SCHEMBL3505182 | 0.81 | NQO2 (0.52) | NQO2PRSS1APPPRMT1 | |
| SCHEMBL14433310 | 0.79 | NQO2 (0.53) | NQO2ALDH1A1UBE2TAPPPRMT1 | |
| SCHEMBL14433317 | 0.79 | MAPT (0.38) | KDM4EALDH1A1GAAL3MBTL1MEN1 | |
| SCHEMBL3505298 | 0.78 | NQO2 (0.52) | NQO2ALDH1A1PRSS1UBE2TAPP | |
| SCHEMBL14433319 | 0.77 | ESR1 (0.40) | KDM4EALDH1A1GAAL3MBTL1MEN1 | |
| SCHEMBL5489078 | 0.77 | ESR1 (0.40) | KDM4EALDH1A1GAAL3MBTL1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1565458-A2 | DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004050018-A2 | DICATIONIC 2,5-DIARYLFURAN AZA-ANALOGS AS ANTI-PROTOZOAN AGENTS | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2004-06-17 | — | — | WO | disclosed |