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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL811072 | 0.87 | — | — | |
| Methoxymethane SCHEMBL28697222 | 0.83 | KMT2A (0.45) | LMNAMAPK1CYP2D6KMT2AMEN1 | |
| Diphenylmethanol SCHEMBL28093890 | 0.80 | LMNA (0.54) | LMNAHPGDMAPK1CYP2D6SRC | |
| Phenyl Ethanol SCHEMBL29265545 | 0.78 | LMNA (0.52) | LMNAHPGDMAPK1CYP2D6SRC | |
| Phenyl Ethanol SCHEMBL1202059 | 0.78 | LMNA (0.52) | LMNAHPGDMAPK1CYP2D6SRC | |
| Acetic Acid SCHEMBL28490384 | 0.76 | LMNA (0.52) | LMNAHPGDMAPK1CYP2D6SRC | |
| SCHEMBL13626301 | 0.76 | SRC (0.46) | LMNAHPGDMAPK1CYP2D6SRC | |
| Acetic Acid SCHEMBL432495 | 0.76 | LMNA (0.52) | LMNAHPGDMAPK1CYP2D6SRC | |
| SCHEMBL9980574 | 0.76 | SRC (0.46) | LMNAHPGDMAPK1CYP2D6SRC | |
| Acetic Acid SCHEMBL28010039 | 0.76 | LMNA (0.52) | LMNAHPGDMAPK1CYP2D6SRC |
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 |
|---|---|---|---|---|---|---|---|
| CN-105037115-B | synthetic method of diaryl ketone compound | 浙江工业大学 | 2017-01-04 | — | — | CN | disclosed |
| CN-104987273-B | catalytic oxidation synthesis method of diaryl ketone compound | 浙江工业大学 | 2016-08-24 | — | — | CN | disclosed |