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 | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 1/20 | 0.59 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL477621 | 0.92 | ACP3 (0.61) | ACP3SRD5A2L3MBTL1CES2CES1 | |
| SCHEMBL477466 | 0.92 | ACP3 (0.61) | ACP3SRD5A2L3MBTL1CES2CES1 | |
| SCHEMBL477389 | 0.92 | ACP3 (0.61) | ACP3SRD5A2L3MBTL1CES2CES1 | |
| Acetic Acid SCHEMBL28094254 | 0.84 | MTNR1A (0.56) | L3MBTL1ALDH1A1 | |
| SCHEMBL120187 | 0.84 | CA12 (0.58) | ACP3L3MBTL1ALDH1A1GAATSHR | |
| Diphenylmethanol SCHEMBL28093890 | 0.84 | LMNA (0.54) | SRD5A2L3MBTL1CES2CES1KMT2A | |
| Acetic Acid SCHEMBL28093898 | 0.82 | KMT2A (0.53) | ACP3SRD5A2L3MBTL1CES2CES1 | |
| SCHEMBL6755554 | 0.81 | ACP3 (0.59) | ACP3L3MBTL1CES2CES1NPC1 | |
| SCHEMBL3689613 | 0.81 | ACP3 (0.54) | ACP3L3MBTL1CES2CES1NPC1 | |
| SCHEMBL6873530 | 0.80 | ACP3 (0.61) | ACP3L3MBTL1CES2CES1NPC1 |
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 |