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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9431217 | 1.00 | KDM4E (0.38) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL9432145 | 0.90 | ALDH1A1 (0.38) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL9432148 | 0.90 | ALDH1A1 (0.38) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL9431445 | 0.84 | ALDH1A1 (0.37) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL7287210 | 0.84 | ALDH1A1 (0.37) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL7277929 | 0.80 | KDM4E (0.39) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL9431776 | 0.80 | KDM4E (0.39) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL9431388 | 0.79 | MAPT (0.42) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL7285574 | 0.79 | MAPT (0.42) | KDM4EALDH1A1MAPTTP53GAA | |
| Fumaric Acid SCHEMBL9431156 | 0.77 | NOTUM (0.37) | KDM4EALDH1A1MAPTTP53GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5292732-A | Pyrrolopyrazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0521368-A1 | Bi- and tetracyclic pyrrolopyrazines | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-07 | — | — | EP | disclosed |