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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 SCHEMBL31108829 | 0.96 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| Acetone SCHEMBL10697359 | 0.90 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| SCHEMBL27502689 | 0.89 | GAA (0.52) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| SCHEMBL37036 | 0.89 | GAA (0.52) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| Acetic Acid Methyl Ester SCHEMBL8524734 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| Hydrochloric Acid SCHEMBL27549704 | 0.87 | GAA (0.50) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| SCHEMBL29807728 | 0.86 | CYP1A2 (0.45) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| SCHEMBL29045278 | 0.86 | CYP1A2 (0.45) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| Succinic Acid SCHEMBL28130323 | 0.86 | CYP1A2 (0.45) | ALDH1A1TSHRCYP1A2GAAMGAM | |
| SCHEMBL19514117 | 0.86 | GAA (0.50) | ALDH1A1TSHRCYP1A2GAAMGAM |
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-106661172-B | Composition for forming resin film for hydrofluoric acid etching and resin film for hydrofluoric acid etching | 日产化学工业株式会社 | 2019-01-15 | — | — | CN | disclosed |
| CN-106661172-A | Composition for forming resin film for hydrofluoric acid etching and resin film for hydrofluoric acid etching | 日产化学工业株式会社 | 2017-05-10 | — | — | CN | disclosed |