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 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acrylic Acid Methyl Ester SCHEMBL2837524 | 0.88 | TSHR (0.38) | HCAR2NFE2L2KEAP1ALDH1A1LMNA | |
| SCHEMBL31443239 | 0.85 | TSHR (0.40) | ALDH1A1LMNAMAPTTSHRKDM4E | |
| SCHEMBL15133 | 0.85 | — | — | |
| SCHEMBL28233391 | 0.83 | TSHR (0.39) | ALDH1A1LMNAMAPTTSHRKDM4E | |
| Dimethylamine SCHEMBL21683092 | 0.83 | TSHR (0.39) | ALDH1A1LMNAMAPTTSHRTDP1 | |
| SCHEMBL11755958 | 0.83 | — | — | |
| Ethylene SCHEMBL624465 | 0.83 | — | — | |
| SCHEMBL28122316 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4178093 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL27797661 | 0.83 | — | — |
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-108285698-A | Self-repairability coating composition, self-repairability coating, the protective film containing the self-repairability coating and its application | 苏州中世惠华合成材料有限公司 | 2018-07-17 | — | — | CN | disclosed |
| CN-108239446-A | Self-repairability coating composition, self-repairability coating, the protective film containing the coating and its application | 苏州中世惠华合成材料有限公司 | 2018-07-03 | — | — | CN | disclosed |