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 | 1.00 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 1.00 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Dimethyl Fumarate SCHEMBL41836 | 1.00 | NFE2L2 (1.00) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Fumarate SCHEMBL41835 | 1.00 | NFE2L2 (1.00) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Fumarate SCHEMBL11668350 | 1.00 | NFE2L2 (1.00) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Maleate SCHEMBL75864 | 1.00 | NFE2L2 (1.00) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Maleate SCHEMBL28991725 | 0.96 | NFE2L2 (0.93) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Maleate SCHEMBL20854972 | 0.96 | NFE2L2 (0.93) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Maleate SCHEMBL6505431 | 0.96 | NFE2L2 (0.93) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Maleate SCHEMBL7057632 | 0.96 | HCAR2 (0.93) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Fumarate SCHEMBL21219085 | 0.96 | NFE2L2 (0.93) | NFE2L2HCAR2KEAP1ALDH1A1MAPT | |
| Dimethyl Fumarate SCHEMBL29395244 | 0.96 | NFE2L2 (0.93) | NFE2L2HCAR2KEAP1ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101307042-B | Method for producing 1,4-butanediol and coproducing tetrahydrofuran, and gamma-butyrolactone | CHINA PETROLEUM & CHEMICAL | 2011-04-20 | — | — | CN | disclosed |
| CN-101307042-A | Method for producing 1,4-butanediol and coproducing tetrahydrofuran, and gamma-butyrolactone | CHINA PETROCHEMICAL CORP (CN) | 2008-11-19 | — | — | CN | disclosed |