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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | TYR | P14679 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| Dimethyl Fumarate SCHEMBL8364739 | 1.00 | HCAR2 (0.42) | HCAR2KEAP1NFE2L2GFPT1KDM4E | |
| Diethyl Maleate SCHEMBL8366376 | 0.86 | HCAR2 (0.42) | HCAR2CA12CA1CA2CA7 | |
| Diethyl Maleate SCHEMBL8366375 | 0.86 | HCAR2 (0.42) | HCAR2CA12CA1CA2CA7 | |
| SCHEMBL57138 | 0.82 | CYP2D6 (0.41) | — | |
| SCHEMBL8364574 | 0.82 | ATM (0.53) | HCAR2 | |
| SCHEMBL8364577 | 0.82 | ATM (0.53) | HCAR2 | |
| Dimethyl Maleate SCHEMBL8359457 | 0.76 | NFE2L2 (0.48) | HCAR2KEAP1NFE2L2GFPT1KDM4E | |
| Dimethyl Fumarate SCHEMBL8359467 | 0.76 | NFE2L2 (0.48) | HCAR2KEAP1NFE2L2GFPT1KDM4E | |
| SCHEMBL18476777 | 0.73 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2GFPT1KDM4E | |
| SCHEMBL4653307 | 0.69 | CYP2D6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6001946-A | Curable silane-encapped compositions having improved performances | WITCO CORPORATION (US) | 1999-12-14 | — | — | US | disclosed |