Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.81 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 6/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
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 SCHEMBL3374740 | 1.00 | HTR6 (0.81) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| SCHEMBL3346264 | 0.90 | HTR6 (1.00) | HTR6DRD2HRH4HRH1HRH3 | |
| Fumaric Acid SCHEMBL3380881 | 0.83 | HTR6 (0.65) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| Fumaric Acid SCHEMBL3431410 | 0.83 | HTR6 (0.58) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| Fumaric Acid SCHEMBL3431411 | 0.83 | HTR6 (0.58) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| Fumaric Acid SCHEMBL3380885 | 0.83 | HTR6 (0.65) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| Fumaric Acid SCHEMBL3379627 | 0.83 | HTR6 (0.62) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| Fumaric Acid SCHEMBL3379634 | 0.83 | HTR6 (0.62) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| Fumaric Acid SCHEMBL3431108 | 0.80 | HTR6 (0.82) | HTR6DRD2KDM4EALDH1A1PIM2 | |
| Fumaric Acid SCHEMBL3431109 | 0.80 | HTR6 (0.82) | HTR6DRD2KDM4EALDH1A1PIM2 |
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 |