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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.87 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.72 |
| ▸ | HTR7 | P34969 | 1/20 | 0.68 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.62 |
| ▸ | THRA | P10827 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11022293 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11017224 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11019625 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11020807 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11018654 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11018444 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11019742 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11022483 | 0.93 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| SCHEMBL11023742 | 0.91 | KDM4E (0.86) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 | |
| Sulfuric Acid SCHEMBL11019523 | 0.90 | KDM4E (0.80) | KDM4EALDH1A1SMN1; SMN2HTR7ADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0157652-A1 | 2-, 3- And 4-biphenyloxyaminoalkanes and related compounds, their preparation and uses, and pharmaceutical compositions containing them | SYNTEX (U.S.A.) INC. (US) | 1985-10-09 | — | — | EP | disclosed |