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 | 0.50 |
| ▸ | TSHR | P16473 | 7/20 | 0.73 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Monomethyl Fumarate SCHEMBL28099233 | 0.93 | TSHR (0.63) | TSHRHCAR2ALDH1A1TP53HIF1A | |
| Acrylic Acid Methyl Ester SCHEMBL6374663 | 0.92 | TSHR (0.79) | TSHRHCAR2ALDH1A1TP53HIF1A | |
| SCHEMBL8894920 | 0.88 | TSHR (0.59) | TSHRHCAR2ALDH1A1TP53HIF1A | |
| SCHEMBL12310431 | 0.88 | TSHR (0.59) | TSHRHCAR2ALDH1A1TP53HIF1A | |
| SCHEMBL7262708 | 0.88 | HCAR2 (0.59) | TSHRHCAR2ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL2980459 | 0.88 | HCAR2 (0.59) | TSHRHCAR2ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL2980456 | 0.88 | HCAR2 (0.59) | TSHRHCAR2ALDH1A1KEAP1NFE2L2 | |
| Methoxymethane SCHEMBL863787 | 0.88 | TSHR (0.86) | TSHRHCAR2ALDH1A1TP53HIF1A | |
| Acrylic Acid Methyl Ester SCHEMBL4866248 | 0.87 | TSHR (0.70) | TSHRHCAR2ALDH1A1TP53HIF1A | |
| SCHEMBL4147710 | 0.86 | TSHR (0.83) | TSHRHCAR2ALDH1A1TP53HIF1A |
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-102844401-B | Expandable elastomeric material in the presence of water or oil | 罗地亚管理公司 | 2016-08-31 | — | — | CN | claimed |