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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20465748 | 0.87 | — | — | |
| SCHEMBL29963524 | 0.87 | — | — | |
| SCHEMBL98875 | 0.87 | — | — | |
| Phthalic Acid SCHEMBL3628205 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4ERAB9ANPC1MEN1 | |
| SCHEMBL4037074 | 0.80 | TAAR1 (0.48) | ALDH1A1KDM4ERAB9ANPC1MEN1 | |
| Acetic Acid SCHEMBL27477632 | 0.79 | CES2 (0.52) | ALDH1A1RAB9ANPC1KMT2ASMN1; SMN2 | |
| Benzaldehyde SCHEMBL3851217 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4ERAB9ANPC1MEN1 | |
| Acetic Acid SCHEMBL29114584 | 0.79 | MEN1 (0.54) | ALDH1A1MAOBMEN1KMT2ATAAR1 | |
| Bicarbonate SCHEMBL28309385 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAOBRAB9AMEN1 | |
| Salicyl Alcohol SCHEMBL4149772 | 0.77 | AKR1B1 (0.59) | ALDH1A1KDM4ELMNASMN1; SMN2TAAR1 |
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 |