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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27911516 | 0.83 | — | — | |
| SCHEMBL3221 | 0.83 | — | — | |
| SCHEMBL8192366 | 0.80 | — | — | |
| SCHEMBL1977753 | 0.80 | — | — | |
| Acetic Acid SCHEMBL8865239 | 0.76 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2GAA | |
| Dioxane SCHEMBL29086945 | 0.76 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2GAA | |
| Dioxane SCHEMBL575055 | 0.76 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2GAA | |
| Cyclopentanone SCHEMBL3600348 | 0.75 | TRIM24 (0.62) | FFAR3LCKFYNSMN1; SMN2TRIM24 | |
| Dioxane SCHEMBL29064211 | 0.74 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2GAA | |
| Dioxane SCHEMBL8100844 | 0.74 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-104203958-B | Bicyclic heterocycles derivative, its preparation and therapeutical uses | 赛诺菲 | 2017-05-31 | — | — | CN | disclosed |