Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dimethyl Maleate. 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 | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | SI | P14410 | 1/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL60515 | 0.87 | GAA (0.61) | GAAMGAMSIMGAM2NPSR1 | |
| Dimethyl Maleate SCHEMBL28846294 | 0.86 | HCAR2 (0.45) | HCAR2KEAP1NFE2L2NPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10882428 | 0.85 | GAA (0.58) | GAAMGAMSIMGAM2NPSR1 | |
| SCHEMBL28878625 | 0.85 | GAA (0.58) | GAAMGAMSIMGAM2NPSR1 | |
| Fumaric Acid SCHEMBL28245616 | 0.84 | HCAR2 (0.50) | GAAMGAMSIMGAM2HCAR2 | |
| SCHEMBL2024186 | 0.82 | GAA (0.50) | GAAMGAMSIMGAM2NPSR1 | |
| SCHEMBL5276345 | 0.81 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1597247 | 0.81 | MGAM (0.46) | GAAMGAMSIMGAM2NPSR1 | |
| SCHEMBL27862456 | 0.81 | GAA (0.48) | GAAMGAMSIMGAM2NPSR1 | |
| SCHEMBL9646080 | 0.80 | HCAR2 (0.50) | GAAMGAMSIMGAM2HCAR2 |
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-106715493-A | Modified polyvinyl alcohol and water-soluble film | 株式会社可乐丽 | 2017-05-24 | — | — | CN | disclosed |