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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.39 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.39 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.39 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.39 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775417 | 0.92 | DRD2 (0.45) | KDM4EHSD17B10MAPTTP53NPC1 | |
| Fumaric Acid SCHEMBL7775336 | 0.88 | DRD2 (0.52) | HSD17B10MAPTTP53LMNANPC1 | |
| Fumaric Acid SCHEMBL7776847 | 0.84 | DRD2 (0.42) | MAPTTP53LMNANPC1RAB9A | |
| Fumaric Acid SCHEMBL7855789 | 0.84 | MAPT (0.47) | MAPTTP53SMN1; SMN2HTR1ADRD2 | |
| SCHEMBL7856234 | 0.83 | OGA (0.43) | KDM4EMAPTTP53LMNAAKR1A1 | |
| Fumaric Acid SCHEMBL7775352 | 0.81 | KDM4E (0.42) | KDM4EHSD17B10MAPTTP53LMNA | |
| SCHEMBL7769242 | 0.81 | OGA (0.42) | KDM4EMAPTTP53LMNANPC1 | |
| SCHEMBL7773438 | 0.81 | DRD4 (0.51) | KDM4EHSD17B10MAPTLMNANPC1 | |
| SCHEMBL27565727 | 0.80 | NPC1 (0.46) | HSD17B10MAPTTP53LMNAAKR1A1 | |
| Bromide SCHEMBL7775356 | 0.80 | OGA (0.41) | KDM4EMAPTTP53LMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |