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 | 1/20 | 0.53 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL3380344 | 1.00 | HTR6 (0.53) | HTR6DRD2MAPTTP53KDM4E | |
| SCHEMBL3346394 | 0.89 | DRD2 (0.64) | HTR6DRD2MAPTTP53KDM4E | |
| SCHEMBL3349828 | 0.78 | HTR6 (0.68) | HTR6DRD2MAPTKDM4EADORA2A | |
| SCHEMBL4001904 | 0.76 | L3MBTL1 (0.56) | HTR6DRD2MAPTKDM4EALDH1A1 | |
| SCHEMBL3995700 | 0.75 | HTR3E (0.51) | HTR6DRD2KDM4EALDH1A1HPGD | |
| Fumaric Acid SCHEMBL3380807 | 0.75 | DRD2 (0.48) | HTR6DRD2MAPTTP53KDM4E | |
| Fumaric Acid SCHEMBL3380801 | 0.75 | DRD2 (0.48) | HTR6DRD2MAPTTP53KDM4E | |
| SCHEMBL3352972 | 0.74 | HTR6 (0.62) | HTR6DRD2MAPTKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL7333696 | 0.73 | DRD2 (0.62) | DRD2MAPTTP53KDM4EALDH1A1 | |
| Maleic Acid SCHEMBL7333691 | 0.73 | DRD2 (0.62) | DRD2MAPTTP53KDM4EALDH1A1 |
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 |