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 | 0.40 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.39 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775409 | 0.92 | ALDH1A1 (0.45) | KDM4EHSD17B10ALDH1A1TSHRHTT | |
| Fumaric Acid SCHEMBL7775335 | 0.88 | HTR1A (0.52) | KDM4ELMNAHSD17B10PMP22ALDH1A1 | |
| Fumaric Acid SCHEMBL7776854 | 0.85 | ALDH1A1 (0.42) | KDM4ELMNAPMP22ALDH1A1HTT | |
| Fumaric Acid SCHEMBL7776844 | 0.85 | HTR1A (0.42) | ALDH1A1SMN1; SMN2HTR1ADRD2HTR2A | |
| Fumaric Acid SCHEMBL7855787 | 0.84 | DRD3 (0.49) | KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7856229 | 0.84 | NPC1 (0.42) | KDM4ELMNAALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL7769240 | 0.81 | NPC1 (0.40) | LMNAALDH1A1SMN1; SMN2TP53MAPT | |
| SCHEMBL7773434 | 0.81 | DRD4 (0.51) | LMNAALDH1A1TSHRSMN1; SMN2HTR1A | |
| Fumaric Acid SCHEMBL7775355 | 0.81 | KDM4E (0.42) | KDM4ELMNAHSD17B10PMP22ALDH1A1 | |
| SCHEMBL27565726 | 0.81 | NPC1 (0.44) | KDM4ELMNAALDH1A1SMN1; SMN2MAPT |
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 |