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 | 4/20 | 0.54 |
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.47 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.46 |
| ▸ | DRD1 known ✓ | P21728 | 2/20 | 0.43 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | DRD3 | P35462 | 3/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7773366 | 0.91 | DRD3 (0.54) | DRD2MAPTHPGDALDH1A1DRD3 | |
| Fumaric Acid SCHEMBL7775336 | 0.89 | DRD2 (0.52) | DRD2MAPTHPGDALDH1A1DRD3 | |
| Fumaric Acid SCHEMBL7775340 | 0.87 | DRD2 (0.53) | DRD2MAPTHPGDALDH1A1DRD3 | |
| Fumaric Acid SCHEMBL7776847 | 0.85 | DRD2 (0.42) | DRD2MAPTHPGDALDH1A1DRD3 | |
| Fumaric Acid SCHEMBL7776886 | 0.85 | DRD2 (0.42) | DRD2MAPTHPGDALDH1A1DRD3 | |
| Fumaric Acid SCHEMBL7773337 | 0.85 | MAPT (0.48) | DRD2MAPTALDH1A1DRD3DRD4 | |
| SCHEMBL7773388 | 0.82 | DRD3 (0.51) | DRD2MAPTHPGDALDH1A1DRD3 | |
| SCHEMBL7776884 | 0.82 | HTR2A (0.62) | DRD2MAPTHPGDALDH1A1DRD3 | |
| Hydrochloric Acid SCHEMBL7775350 | 0.81 | DRD3 (0.50) | DRD2MAPTHPGDALDH1A1DRD3 | |
| Hydrochloric Acid SCHEMBL7775448 | 0.81 | HTR2A (0.61) | DRD2MAPTHPGDALDH1A1DRD3 |
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 3 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-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |