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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL9719190 | 0.90 | ALDH1A1 (0.37) | HCAR2ALDH1A1TDP1ALOX15RECQL | |
| Maleic Acid SCHEMBL27868428 | 0.82 | HTT (0.40) | ALDH1A1MAPTTDP1ALOX15HTT | |
| Monomethyl Fumarate SCHEMBL5076324 | 0.81 | HCAR2 (0.57) | HCAR2ALDH1A1KDM4EMAPTTDP1 | |
| SCHEMBL342182 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1HSD17B10ATM | |
| SCHEMBL372980 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1HSD17B10ATM | |
| SCHEMBL25278 | 0.79 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL7026929 | 0.78 | HCAR2 (0.52) | HCAR2ALDH1A1KDM4EMAPTTDP1 | |
| Monomethyl Fumarate SCHEMBL7764250 | 0.77 | HCAR2 (0.81) | HCAR2ALDH1A1KDM4EMAPTTDP1 | |
| Acrylic Acid Methyl Ester SCHEMBL10895545 | 0.76 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL6674567 | 0.76 | ALDH1A1 (0.39) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0693091-B1 | COMPOSITION FOR A COVER MATERIAL OF A GOLF BALL | DU PONT (US) | 1997-10-15 | — | — | EP | disclosed |
| EP-0693091-A1 | COMPOSITION FOR A COVER MATERIAL OF A GOLF BALL | DU PONT (US) | 1996-01-24 | — | — | EP | disclosed |
| WO-1994024204-A2 | COMPOSITION FOR A COVER MATERIAL OF A GOLF BALL | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-10-27 | — | — | WO | disclosed |