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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.38 |
| ▸ | BUB1 | O43683 | 1/20 | 0.37 |
| ▸ | TSPO | P30536 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6136761 | 0.92 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| Fumaric Acid SCHEMBL6801692 | 0.90 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| Fumaric Acid SCHEMBL6803452 | 0.90 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| Fumaric Acid SCHEMBL6844439 | 0.88 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| SCHEMBL6803450 | 0.87 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| SCHEMBL6137023 | 0.84 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| SCHEMBL6136790 | 0.83 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| SCHEMBL6136889 | 0.83 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DTDP1 | |
| Fumaric Acid SCHEMBL6800566 | 0.80 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| Fumaric Acid SCHEMBL6800568 | 0.80 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DALDH1A1 |
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-6765095-B2 | HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS | DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) | 2004-07-20 | — | — | US | disclosed |
| US-6555557-B1 | 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors | DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) | 2003-04-29 | — | — | US | disclosed |