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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.50 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.50 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.50 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.50 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.42 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 3/20 | 0.50 |
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775390 | 0.91 | DRD4 (0.58) | ALDH1A1TSHRHSD17B10DRD2DRD4 | |
| Fumaric Acid SCHEMBL7775335 | 0.90 | HTR1A (0.52) | ALDH1A1TSHRHSD17B10DRD2DRD4 | |
| Fumaric Acid SCHEMBL7773436 | 0.87 | DRD2 (0.51) | ALDH1A1TSHRHSD17B10DRD2DRD4 | |
| Fumaric Acid SCHEMBL7776844 | 0.83 | HTR1A (0.42) | ALDH1A1DRD2DRD4HTR1ADRD3 | |
| Fumaric Acid SCHEMBL7776885 | 0.83 | DRD2 (0.42) | DRD2DRD4HTR1ADRD3ADRA1A | |
| Fumaric Acid SCHEMBL7773336 | 0.81 | HTR1A (0.48) | ALDH1A1HSD17B10DRD2HTR1ADRD3 | |
| SCHEMBL7773411 | 0.81 | DRD2 (0.57) | ALDH1A1DRD2DRD4HTR1ADRD3 | |
| Fumaric Acid SCHEMBL7775340 | 0.80 | DRD2 (0.53) | ALDH1A1TSHRHSD17B10DRD2DRD4 | |
| SCHEMBL7773434 | 0.80 | DRD4 (0.51) | ALDH1A1TSHRDRD2DRD4HTR1A | |
| Fumaric Acid SCHEMBL7775435 | 0.80 | DRD2 (0.58) | DRD2DRD4HTR1ADRD3ADRA1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | 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 |