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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076988 | 0.79 | AHR (0.49) | ALDH1A1LMNAMAPTKDM4ETP53 | |
| SCHEMBL5782689 | 0.79 | AHR (0.49) | ALDH1A1LMNAMAPTKDM4ETP53 | |
| SCHEMBL2793473 | 0.79 | CYP2C9 (0.58) | ALDH1A1KDM4ECES2CES1KIF11 | |
| SCHEMBL28711201 | 0.79 | KMT2A (0.60) | ALDH1A1KDM4ECES2CES1KIF11 | |
| SCHEMBL2316036 | 0.79 | KCNN4 (0.53) | ALDH1A1MAPTKDM4ECES2CES1 | |
| SCHEMBL28797 | 0.77 | CA4 (0.54) | LMNACES2CES1KIF11KMT2A | |
| SCHEMBL2324555 | 0.77 | CA4 (0.54) | LMNACES2CES1KIF11AHR | |
| SCHEMBL16626130 | 0.77 | CA4 (0.54) | CES2CES1KIF11AHRCA1 | |
| SCHEMBL7763666 | 0.77 | CA4 (0.54) | LMNACES2CES1KIF11KMT2A | |
| SCHEMBL29205 | 0.77 | CA4 (0.54) | LMNACES2CES1KIF11KMT2A |
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 |