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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 5/20 | 0.76 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 11/20 | 0.76 |
| ▸ | PIM2 | Q9P1W9 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
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 SCHEMBL3376286 | 1.00 | HTR6 (0.76) | HTR6DRD2PIM2KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL3376021 | 0.99 | HTR6 (0.77) | HTR6DRD2PIM2KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL3376024 | 0.99 | HTR6 (0.77) | HTR6DRD2PIM2KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL3431109 | 0.96 | HTR6 (0.82) | HTR6DRD2PIM2KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL3431108 | 0.96 | HTR6 (0.82) | HTR6DRD2PIM2KDM4EALDH1A1 | |
| SCHEMBL3346734 | 0.91 | HTR6 (0.91) | HTR6DRD2HRH4HTR1AHTR2A | |
| SCHEMBL3347802 | 0.90 | HTR6 (0.93) | HTR6DRD2HRH4HTR1AHTR2A | |
| Fumaric Acid SCHEMBL3380881 | 0.88 | HTR6 (0.65) | HTR6DRD2PIM2KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL3380885 | 0.88 | HTR6 (0.65) | HTR6DRD2PIM2KDM4EALDH1A1 | |
| SCHEMBL3374828 | 0.87 | HTR6 (1.00) | HTR6DRD2HRH4HTR1AHTR2A |
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-2010053388-A1 | NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT | INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) | 2010-05-14 | — | — | WO | disclosed |