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 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 Methyl Ester SCHEMBL27470817 | 0.97 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL27451853 | 0.94 | ALDH1A1 (0.62) | ALDH1A1LMNABLMPMP22ALOX15 | |
| Acetic Acid Methyl Ester SCHEMBL28060374 | 0.88 | ALDH1A1 (0.56) | ALDH1A1LMNABLMPMP22ALOX15 | |
| Acetic Acid Methyl Ester SCHEMBL28131919 | 0.85 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28033858 | 0.83 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL1443026 | 0.83 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL11619133 | 0.83 | ALDH1A1 (0.91) | ALDH1A1LMNATSHRMGAMGAA | |
| Acetic Acid Methyl Ester SCHEMBL9130008 | 0.79 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL17222794 | 0.79 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL4194328 | 0.79 | ALDH1A1 (0.83) | ALDH1A1LMNATSHRMGAMGAA |
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-103874702-A | Novel substituted indole derivatives as gamma secretase modulators | JANSSEN PHARMACEUTICALS INC | 2014-06-18 | — | — | CN | disclosed |