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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.50 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.50 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.50 |
| ▸ | KCNH2 known ✓ | Q12809 | 5/20 | 0.43 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.41 |
| ▸ | MLNR known ✓ | O43193 | 1/20 | 0.41 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.41 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.41 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9691198 | 0.95 | CYP3A4 (0.51) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| Hydrochloric Acid SCHEMBL9800689 | 0.83 | HTR1A (0.54) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| SCHEMBL9564997 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| SCHEMBL9564945 | 0.80 | CYP3A4 (0.54) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| SCHEMBL9564879 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| Fumaric Acid SCHEMBL9565032 | 0.78 | SSTR5 (0.45) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| Fumaric Acid SCHEMBL9565040 | 0.75 | SSTR5 (0.46) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| Fumaric Acid SCHEMBL9631171 | 0.74 | HTR1A (0.45) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| SCHEMBL9865735 | 0.74 | KCNH2 (0.58) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A | |
| SCHEMBL9601699 | 0.74 | SSTR5 (0.52) | CYP3A4CYP2D6SMN1; SMN2MEN1HTR1A |
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-5071846-A | Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-12-10 | — | — | US | disclosed |
| US-4988689-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-01-29 | — | — | US | disclosed |