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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7276372 | 1.00 | BRD4 (0.46) | BRD4HDAC1HDAC2LMNAALDH1A1 | |
| Fumaric Acid SCHEMBL7325102 | 0.82 | HTR3A (0.58) | LMNAALDH1A1MAPTNPC1RAB9A | |
| Maleic Acid SCHEMBL7325100 | 0.82 | HTR3A (0.58) | LMNAALDH1A1MAPTNPC1RAB9A | |
| Maleic Acid SCHEMBL7269202 | 0.81 | NR4A2 (0.48) | LMNAALDH1A1MAPTNR4A2POLB | |
| SCHEMBL7364339 | 0.74 | HTR3A (0.67) | BRD4HDAC1HDAC2LMNAALDH1A1 | |
| SCHEMBL11233424 | 0.73 | POLB (0.62) | LMNAALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL23940250 | 0.71 | BRD4 (0.71) | BRD4HDAC1HDAC2LMNAALDH1A1 | |
| SCHEMBL4759340 | 0.71 | NPC1 (0.51) | HDAC1HDAC2LMNAALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL7267726 | 0.71 | HDAC1 (0.48) | HDAC1HDAC2LMNAALDH1A1NPC1 | |
| SCHEMBL27249468 | 0.70 | KDM4E (0.61) | BRD4LMNAALDH1A1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5026722-A | Antagonists of 5-hydroxytryptamine | GLAXO GROUP LIMITED (GB) | 1991-06-25 | — | — | US | disclosed |
| EP-0347229-A1 | Indole derivatives | GLAXO GROUP LIMITED (GB) | 1989-12-20 | — | — | EP | disclosed |