Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.55 |
| ▸ | KIF11 | P52732 | 18/20 | 0.55 |
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KIF23 | Q02241 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 SCHEMBL4254448 | 1.00 | KIF11 (0.55) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| SCHEMBL4248068 | 0.96 | KIF11 (0.59) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| SCHEMBL4247105 | 0.96 | KIF11 (0.59) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| SCHEMBL4247617 | 0.96 | KIF11 (0.59) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4247295 | 0.95 | KIF11 (0.58) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4247293 | 0.95 | KIF11 (0.58) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| SCHEMBL4245580 | 0.94 | KIF11 (0.56) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| SCHEMBL4245585 | 0.94 | KIF11 (0.56) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| Sulfuric Acid SCHEMBL4245584 | 0.93 | KIF11 (0.58) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 | |
| Phosphoric Acid SCHEMBL4255998 | 0.93 | KIF11 (0.56) | KIF11MAP1LC3BKCNH2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035426-A1 | PYRAZOLOPYRIMIDONES | 4SC AG (DE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007144384-A1 | PYRAZOLOPYRIMIDONES | 4SC AG (DE) | 2007-12-21 | — | — | WO | disclosed |