Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.60 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.60 |
| ▸ | HCAR2 | Q8TDS4 | 12/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL39643 | 1.00 | MAPT (0.60) | MAPTCACNA1BAPBA1HCAR2APP | |
| SCHEMBL254252 | 1.00 | MAPT (0.60) | MAPTCACNA1BAPBA1HCAR2APP | |
| Fumaric Acid SCHEMBL27729433 | 1.00 | MAPT (0.60) | MAPTCACNA1BAPBA1HCAR2APP | |
| SCHEMBL39644 | 1.00 | MAPT (0.60) | MAPTCACNA1BAPBA1HCAR2APP | |
| SCHEMBL29985915 | 1.00 | MAPT (0.60) | MAPTCACNA1BAPBA1HCAR2APP | |
| SCHEMBL27834457 | 1.00 | MAPT (0.60) | MAPTCACNA1BAPBA1HCAR2APP | |
| Ethylene SCHEMBL436694 | 0.98 | MAPT (0.58) | MAPTCACNA1BAPBA1HCAR2APP | |
| SCHEMBL1906274 | 0.98 | MAPT (0.58) | MAPTCACNA1BAPBA1HCAR2APP | |
| SCHEMBL1906696 | 0.98 | MAPT (0.58) | MAPTCACNA1BAPBA1HCAR2APP | |
| Water SCHEMBL586051 | 0.98 | MAPT (0.58) | MAPTCACNA1BAPBA1HCAR2APP |
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-102123763-B | Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof | XENOPORT, INC. (US) | 2014-10-08 | — | — | CN | disclosed |
| CN-102123763-A | Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof | XENOPORT INC | 2011-07-13 | — | — | CN | disclosed |