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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 17/20 | 0.54 |
| ▸ | PDE3A | Q14432 | 17/20 | 0.54 |
| ▸ | PDE4A | P27815 | 2/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.54 |
| ▸ | PDE2A | O00408 | 1/20 | 0.53 |
| ▸ | PDE1A | P54750 | 1/20 | 0.53 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.53 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL11000237 | 1.00 | PDE3B (0.54) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL10620570 | 0.91 | PDE3B (0.63) | PDE3BPDE3APDE4APDE4BPDE4C | |
| Ci-930 SCHEMBL10994723 | 0.81 | PDE3B (0.83) | PDE3BPDE3APDE4APDE4BPDE4C | |
| Ci-930 SCHEMBL10994729 | 0.81 | PDE3B (0.83) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL11207365 | 0.77 | PDE3B (0.60) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL11017889 | 0.75 | PDE3B (0.70) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL11017887 | 0.75 | PDE3B (0.70) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL10729410 | 0.74 | PBRM1 (0.48) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL10353457 | 0.74 | PDE3B (0.71) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL10757838 | 0.72 | PDE3B (0.52) | PDE3BPDE3APDE4APDE4BPDE4C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4551455-A | HYPOTENSIVE AGENTS | A. NATTERMANN & CIE GMBH (DE) | 1985-11-05 | — | — | US | disclosed |