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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 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 SCHEMBL28694644 | 0.92 | DPP7 (0.37) | KDM4EL3MBTL1CHRM1ALDH1A1MAPT | |
| SCHEMBL3311908 | 0.81 | LMNA (0.38) | L3MBTL1MAPT | |
| Bromide SCHEMBL2354546 | 0.79 | LMNA (0.36) | — | |
| SCHEMBL3309160 | 0.79 | LMNA (0.39) | — | |
| Acetic Acid SCHEMBL717018 | 0.79 | HSD11B1 (0.47) | KDM4EHSD11B1L3MBTL1CYP2D6ALDH1A1 | |
| Bromide SCHEMBL2354969 | 0.77 | LMNA (0.38) | — | |
| Acetic Acid SCHEMBL7372977 | 0.77 | ALDH1A1 (0.47) | KDM4EHSD11B1L3MBTL1CYP2D6ALDH1A1 | |
| Acetic Acid SCHEMBL30331025 | 0.77 | CYP2D6 (0.48) | KDM4EHSD11B1CHRM1CYP2D6ALDH1A1 | |
| SCHEMBL30745109 | 0.74 | KDM4E (0.43) | KDM4EHSD11B1CHRM1CYP2D6ALDH1A1 | |
| Propionic Acid SCHEMBL8826787 | 0.71 | SMN1; SMN2 (0.50) | KDM4EHSD11B1L3MBTL1CYP2D6ALDH1A1 |
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 |