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 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 SCHEMBL18429380 | 0.95 | ALDH1A1 (0.36) | ALDH1A1TDP1FFAR3LCKFYN | |
| Bicarbonate SCHEMBL5085250 | 0.92 | MMP8 (0.36) | ALDH1A1TDP1MMP8CYP2C19CYP2D6 | |
| Acetone SCHEMBL9097300 | 0.92 | ALDH1A1 (0.41) | ALDH1A1TDP1MMP8CYP2C19CYP2D6 | |
| Butanone SCHEMBL10818296 | 0.91 | ALDH1A1 (0.46) | ALDH1A1TDP1FFAR3LCKFYN | |
| Hydrogen Peroxide SCHEMBL28073128 | 0.88 | TSHR (0.35) | MMP8GRM2GRM3 | |
| SCHEMBL28253490 | 0.86 | RNPEP (0.37) | ALDH1A1MMP8CYP2C19CYP2D6GRM2 | |
| Acetone SCHEMBL20597859 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TDP1MMP8CYP2C19 | |
| SCHEMBL6139393 | 0.86 | RNPEP (0.37) | ALDH1A1MMP8CYP2C19CYP2D6GRM2 | |
| Methacrylic Acid SCHEMBL4364078 | 0.85 | TSHR (0.39) | ALDH1A1TDP1MMP8CYP2C19CYP2D6 | |
| Succinic Acid SCHEMBL9090936 | 0.84 | EGLN1 (0.45) | FFAR3 |
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-106610411-A | Method for detecting peroxide value of euphausia superba oil | 深圳先进技术研究院 | 2017-05-03 | — | — | CN | disclosed |
| CN-105263816-A | Vinyl chloride-based film for food packaging | MITSUBISHI PLASTICS INC | 2016-01-20 | — | — | CN | disclosed |