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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
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 SCHEMBL28675172 | 0.92 | KDM4E (0.38) | DPP7MAPTL3MBTL1ALDH1A1KMT2A | |
| SCHEMBL3311908 | 0.88 | LMNA (0.38) | MAPTL3MBTL1MAPK1NPSR1LMNA | |
| Bromide SCHEMBL2354546 | 0.86 | LMNA (0.36) | LMNA | |
| SCHEMBL3309160 | 0.86 | LMNA (0.39) | LMNA | |
| Bromide SCHEMBL2354969 | 0.84 | LMNA (0.38) | LMNA | |
| SCHEMBL27490739 | 0.76 | DPP7 (0.42) | DPP7MAPTL3MBTL1MAPK1NPSR1 | |
| Acetic Acid SCHEMBL28693958 | 0.74 | KDM4E (0.43) | MAPK1ALDH1A1MEN1LMNAKMT2A | |
| Acetic Acid SCHEMBL10551155 | 0.73 | CHRNA7 (0.42) | DPP7MAPTALDH1A1MEN1LMNA | |
| SCHEMBL9541680 | 0.73 | MAPT (0.31) | MAPTL3MBTL1MAPK1NPSR1FDPS | |
| SCHEMBL9542080 | 0.73 | MAPT (0.31) | MAPTL3MBTL1MAPK1NPSR1FDPS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113786711-A | Method for recovering chlorine-containing volatile organic compounds in organic waste gas by using ionic liquid | 郑州中科新兴产业技术研究院 | 2021-12-14 | — | — | CN | disclosed |