Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethyl 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 | 0.65 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.67 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MDM4 | O15151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL847081 | 1.00 | HCAR2 (0.67) | HCAR2KEAP1NFE2L2MAPTATM | |
| Diethyl Maleate SCHEMBL1997508 | 1.00 | HCAR2 (0.67) | HCAR2KEAP1NFE2L2MAPTATM | |
| Diethyl Maleate SCHEMBL28318001 | 1.00 | HCAR2 (0.67) | HCAR2KEAP1NFE2L2MAPTATM | |
| SCHEMBL554288 | 1.00 | HCAR2 (0.67) | HCAR2KEAP1NFE2L2MAPTATM | |
| SCHEMBL847082 | 1.00 | HCAR2 (0.67) | HCAR2KEAP1NFE2L2MAPTATM | |
| SCHEMBL4179973 | 0.93 | HCAR2 (0.59) | HCAR2KEAP1NFE2L2MAPTATM | |
| Ethyl Fumarate SCHEMBL4179975 | 0.91 | HCAR2 (0.83) | HCAR2KEAP1NFE2L2MAPTATM | |
| Ethyl Fumarate SCHEMBL4179969 | 0.91 | HCAR2 (0.83) | HCAR2KEAP1NFE2L2MAPTATM | |
| Dimethyl Maleate SCHEMBL28089786 | 0.91 | HCAR2 (0.57) | HCAR2KEAP1NFE2L2MAPTATM | |
| Ethyl Fumarate SCHEMBL28185445 | 0.91 | HCAR2 (0.83) | HCAR2KEAP1NFE2L2MAPTATM |
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-105051617-B | Conductive roll bridging property rubber composition, conductive roll rubber cross thing and conductive roll | 日本瑞翁株式会社 | 2017-11-10 | — | — | CN | disclosed |