Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Monomethyl Fumarate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.63 |
| ▸ | HCAR2 | Q8TDS4 | 9/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 Maleate SCHEMBL28099231 | 0.93 | TSHR (0.73) | TSHRHCAR2HPGDALDH1A1TP53 | |
| SCHEMBL29132468 | 0.90 | TSHR (0.73) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Fumaric Acid SCHEMBL956152 | 0.89 | TSHR (0.79) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Maleic Acid SCHEMBL956148 | 0.89 | TSHR (0.79) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Fumaric Acid SCHEMBL30592706 | 0.89 | TSHR (0.79) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid Methyl Ester SCHEMBL4866248 | 0.88 | TSHR (0.70) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Acrylic Acid Methyl Ester SCHEMBL6374663 | 0.86 | TSHR (0.79) | TSHRHCAR2HPGDALDH1A1TP53 | |
| SCHEMBL29185571 | 0.83 | TSHR (0.63) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Crotonic Acid SCHEMBL9681122 | 0.83 | TSHR (0.68) | TSHRHCAR2HPGDALDH1A1TP53 | |
| Crotonic Acid SCHEMBL9681135 | 0.83 | TSHR (0.68) | TSHRHCAR2HPGDALDH1A1TP53 |
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 |