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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
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 SCHEMBL7464788 | 1.00 | HTR2A (0.50) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5073448 | 0.91 | KDM4E (0.56) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7458312 | 0.90 | KDM4E (0.58) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7464185 | 0.90 | KDM4E (0.57) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7464796 | 0.84 | HTR2A (0.48) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7458703 | 0.79 | CCR5 (0.59) | — | |
| Fumaric Acid SCHEMBL8711531 | 0.79 | SMN1; SMN2 (0.52) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL8711535 | 0.79 | SMN1; SMN2 (0.52) | HTR2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL7459694 | 0.79 | CCR5 (0.49) | CYP1A2CYP3A4CYP2D6HTR7 | |
| Fumaric Acid SCHEMBL7459686 | 0.79 | CCR5 (0.49) | CYP1A2CYP3A4CYP2D6HTR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1180513-A1 | CYCLIC AMIDE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-20 | — | — | EP | disclosed |