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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 7/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ASPH | Q12797 | 1/20 | 0.33 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28841421 | 0.90 | MEN1 (0.41) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL141037 | 0.90 | CYP1A2 (0.40) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL10174835 | 0.88 | MEN1 (0.37) | FFAR3LCKFYNMEN1KMT2A | |
| SCHEMBL28406999 | 0.87 | CYP1A2 (0.38) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| Fluoride SCHEMBL2393600 | 0.87 | CYP1A2 (0.38) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| Hydrochloric Acid SCHEMBL4414501 | 0.87 | CYP1A2 (0.38) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| Hydrochloric Acid SCHEMBL7881715 | 0.87 | CYP1A2 (0.38) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL29191767 | 0.87 | CYP1A2 (0.38) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL203915 | 0.87 | CES2 (0.43) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL28830662 | 0.87 | CYP1A2 (0.38) | MEN1KMT2ASMN1; SMN2CRHBPCRHR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020124727-A1 | SYNTHESIS METHOD FOR 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL | 浙江中欣氟材股份有限公司 | 2020-06-25 | — | — | WO | disclosed |