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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL262250 | 0.87 | EGLN1 (0.50) | HCAR2ALDH1A1CYP2D6SMN1; SMN2EGLN1 | |
| Dimethyl Maleate SCHEMBL28846293 | 0.86 | GAA (0.47) | HCAR2KEAP1NFE2L2ALDH1A1CYP2D6 | |
| Dimethyl Fumarate SCHEMBL5077438 | 0.85 | HCAR2 (0.52) | HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2 | |
| SCHEMBL11694414 | 0.85 | EGLN1 (0.48) | ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1 | |
| SCHEMBL11691945 | 0.85 | EGLN1 (0.48) | HCAR2ALDH1A1CYP2D6SMN1; SMN2EGLN1 | |
| SCHEMBL11694750 | 0.85 | EGLN1 (0.48) | HCAR2ALDH1A1CYP2D6SMN1; SMN2EGLN1 | |
| Formic Acid SCHEMBL28220883 | 0.84 | ALDH1A1 (0.46) | HCAR2ALDH1A1CYP2D6SMN1; SMN2EGLN1 | |
| Itaconate SCHEMBL27701921 | 0.82 | HSD17B10 (0.50) | ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1 | |
| Monomethyl Fumarate SCHEMBL8952278 | 0.81 | HCAR2 (0.61) | HCAR2KEAP1NFE2L2ALDH1A1EGLN1 | |
| SCHEMBL9646080 | 0.80 | HCAR2 (0.50) | HCAR2KEAP1NFE2L2ALDH1A1CYP2D6 |
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 |