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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.46 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 4/20 | 0.47 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 5/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7769221 | 0.92 | DRD2 (0.48) | HTR1AALDH1A1DRD3DRD1DRD2 | |
| Fumaric Acid SCHEMBL7855787 | 0.91 | DRD3 (0.49) | HTR1AKDM4EALDH1A1CYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL7773436 | 0.85 | DRD2 (0.51) | HTR1AALDH1A1CYP1A2CYP2D6ALOX15 | |
| Fumaric Acid SCHEMBL7775335 | 0.82 | HTR1A (0.52) | HTR1AKDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7776873 | 0.82 | HTR1A (0.52) | HTR1ADRD3DRD2 | |
| SCHEMBL7856186 | 0.81 | DRD3 (0.49) | HTR1AKDM4EALDH1A1DRD3DRD2 | |
| Bromide SCHEMBL7775404 | 0.81 | HTR1A (0.51) | HTR1ADRD3DRD2 | |
| Fumaric Acid SCHEMBL7776885 | 0.81 | DRD2 (0.42) | HTR1ACYP1A2CYP2D6DRD3HTR7 | |
| Fumaric Acid SCHEMBL7773337 | 0.81 | MAPT (0.48) | HTR1AALDH1A1DRD3DRD1HTR7 | |
| SCHEMBL7769227 | 0.81 | ALDH1A1 (0.48) | HTR1AKDM4EALDH1A1CYP1A2CYP3A4 |
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 6 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 | claimed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | claimed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | claimed |
| 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 |