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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 10/20 | 0.59 |
| ▸ | PDE4A | P27815 | 10/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.51 |
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 SCHEMBL7437465 | 1.00 | PDE5A (0.59) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1241264 | 0.93 | PDE5A (0.67) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7432167 | 0.78 | PDE5A (0.79) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7436549 | 0.76 | PDE5A (0.79) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7392696 | 0.75 | PDE5A (1.00) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7438715 | 0.74 | PDE5A (0.59) | PDE5APDE4APDE4BPDE4CPDE4D | |
| Water SCHEMBL7449813 | 0.73 | PDE5A (0.58) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7389735 | 0.73 | PDE5A (0.69) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7438586 | 0.72 | PDE5A (0.62) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7394813 | 0.71 | PDE5A (0.63) | PDE5APDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0550570-A1 | XANTHINE DERIVATIVES | Beecham Group p.l.c. (GB) | 1993-07-14 | — | — | EP | claimed |
| WO-1992005175-A1 | XANTHINE DERIVATIVES | BEECHAM GROUP PLC (GB) | 1992-04-02 | — | — | WO | claimed |
| EP-0550570-A1 | XANTHINE DERIVATIVES | Beecham Group p.l.c. (GB) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992005175-A1 | XANTHINE DERIVATIVES | BEECHAM GROUP PLC (GB) | 1992-04-02 | — | — | WO | disclosed |