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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 6/20 | 0.66 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.66 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.66 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.66 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.66 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.66 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.66 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.66 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.66 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.66 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.66 |
| ▸ | HTR4 known ✓ | Q13639 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | DRD4 | P21917 | 7/20 | 0.66 |
| ▸ | DRD3 | P35462 | 5/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | ACHE | P22303 | 1/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.66 |
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 SCHEMBL7348555 | 1.00 | CYP3A4 (0.73) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| SCHEMBL7345151 | 0.95 | DRD4 (0.72) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| Dazopride SCHEMBL121513 | 0.88 | CYP3A4 (0.68) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| Clebopride SCHEMBL2323725 | 0.85 | CYP3A4 (1.00) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| Clebopride SCHEMBL4537448 | 0.85 | CYP3A4 (1.00) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| Clebopride SCHEMBL2323732 | 0.85 | CYP3A4 (1.00) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| SCHEMBL7337602 | 0.82 | HTR4 (0.71) | HTR4 | |
| Dazopride SCHEMBL184075 | 0.81 | HTR4 (0.72) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| Dazopride SCHEMBL7339808 | 0.81 | HTR4 (0.71) | CYP3A4DRD4DRD2DRD3CYP1A2 | |
| SCHEMBL11472928 | 0.80 | DRD4 (1.00) | CYP3A4DRD4DRD2DRD3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4207327-A | N-(4-Pyrazolidinyl)benzamides and their amino precursors | A. H. ROBINS COMPANY, INC. (US) | 1980-06-10 | — | — | US | claimed |