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 | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | BCHE | P06276 | 3/20 | 0.60 |
| ▸ | ACHE | P22303 | 3/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 8/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 8/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 8/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 8/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 8/20 | 0.58 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10682570 | 0.92 | LSS (0.87) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL10676044 | 0.92 | LSS (0.87) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL10682555 | 0.92 | LSS (0.87) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL10678430 | 0.92 | LSS (0.87) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL10678840 | 0.92 | LSS (0.87) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL10683734 | 0.92 | LSS (0.87) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL10678545 | 0.91 | LSS (0.90) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| Sulfuric Acid SCHEMBL10680949 | 0.90 | LSS (0.72) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL10679594 | 0.86 | LSS (1.00) | LSSKDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL9360319 | 0.85 | GAA (0.71) | LSSKDM4ESMN1; SMN2BCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4792570-A | 3- and 4-biphenyloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents | SYNTEX (U.S.A.) INC. (US) | 1988-12-20 | — | — | US | disclosed |
| 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 |