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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 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 | |
|---|---|---|---|---|
| SCHEMBL3472423 | 0.92 | TDP1 (0.45) | TDP1MAPK1SLC13A3EGLN1OR51E2 | |
| SCHEMBL15391983 | 0.72 | MMP1 (0.48) | MAPK1SLC13A3EGLN1OR51E2FOLH1 | |
| SCHEMBL6008457 | 0.70 | EGLN1 (0.39) | TDP1MAPK1SLC13A3EGLN1OR51E2 | |
| SCHEMBL21456762 | 0.70 | TDP1 (0.50) | TDP1 | |
| SCHEMBL17402240 | 0.69 | TDP1 (0.45) | TDP1 | |
| SCHEMBL3472426 | 0.69 | TDP1 (0.45) | TDP1MAPK1FOLH1 | |
| SCHEMBL8127304 | 0.68 | TDP1 (0.52) | TDP1FOLH1 | |
| SCHEMBL9616895 | 0.68 | TDP1 (0.52) | TDP1FOLH1 | |
| SCHEMBL17402238 | 0.67 | TDP1 (0.46) | TDP1 | |
| Fumaric Acid SCHEMBL3790173 | 0.66 | ACE (0.37) | TDP1EGLN1FOLH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005054978-A2 | METHODS, SYSTEMS, AND SOFTWARE FOR PREDICTING BIOCHEMICAL NETWORKS OR PATHWAYS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2005-06-16 | — | — | WO | disclosed |