Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
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 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL27498928 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TSHRKMT2AMEN1 | |
| Ethyl Acetate SCHEMBL30203103 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRKMT2AMEN1 | |
| Bicarbonate SCHEMBL31439045 | 0.75 | MAPT (0.45) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| Methyl Alcohol SCHEMBL27890059 | 0.74 | CYP3A4 (0.47) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| SCHEMBL38661071 | 0.74 | CA1 (0.45) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| Acetic Acid SCHEMBL27462445 | 0.73 | CYP3A4 (0.48) | ALDH1A1HSD17B10CFTRTSHRKMT2A | |
| Anisole SCHEMBL28777733 | 0.73 | CA4 (0.54) | ALDH1A1RAB9AMAPTPKMKDM4E | |
| Fluorobenzene SCHEMBL27602373 | 0.73 | KCNN4 (0.42) | ALDH1A1TSHRCYP1A2CYP2C19RAB9A | |
| Acetic Acid Methyl Ester SCHEMBL10564489 | 0.72 | TSHR (0.48) | ALDH1A1TSHRKMT2AMEN1CYP2C9 | |
| SCHEMBL70747 | 0.72 | — | — |
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-1391473-A | VLA-4 inhibitor compounds | DAIICHI SEIYAKU CO (JP) | 2003-01-15 | — | — | CN | disclosed |