Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Methyl Ester. 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 | 4/20 | 0.77 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 Methyl Ester SCHEMBL28803667 | 0.96 | ALDH1A1 (0.83) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid Methyl Ester SCHEMBL28418558 | 0.96 | ALDH1A1 (0.83) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid Methyl Ester SCHEMBL28664913 | 0.96 | ALDH1A1 (0.83) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid Methyl Ester SCHEMBL3857364 | 0.96 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28855988 | 0.96 | ALDH1A1 (0.83) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid Methyl Ester SCHEMBL28374819 | 0.92 | ALDH1A1 (0.77) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid Methyl Ester SCHEMBL11146970 | 0.92 | ALDH1A1 (0.77) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid Methyl Ester SCHEMBL1443026 | 0.92 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL11619133 | 0.92 | ALDH1A1 (0.91) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid Methyl Ester SCHEMBL28080791 | 0.89 | ALDH1A1 (0.71) | ALDH1A1FFAR3LCKFYNTSHR |
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-111303044-A | Synthetic method of sulfachloropyridazine sodium | 湖南吴赣药业有限公司 | 2020-06-19 | — | — | CN | claimed |