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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 9/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 7/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7847670 | 0.92 | DRD2 (0.46) | DRD2ADRA1ADRD3FGFR1KDR | |
| SCHEMBL5454865 | 0.81 | MAPK10 (0.36) | MAPK14MAPK10MAPK13MAPK12MAPK11 | |
| SCHEMBL5447721 | 0.79 | MAP4K4 (0.48) | MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL5452518 | 0.78 | MAPK14 (0.56) | MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL5441981 | 0.77 | NPC1 (0.52) | MAPK14MAPK13MAPK12MAPK11CYP3A4 | |
| SCHEMBL14521999 | 0.76 | MAPK14 (0.54) | MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL5453641 | 0.76 | KDM4E (0.45) | MAPK14CYP3A4 | |
| SCHEMBL5353409 | 0.74 | MAPK14 (0.58) | MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL5454886 | 0.74 | TDO2 (0.47) | MAPK14MAPK10MAPK13MAPK12MAPK11 | |
| SCHEMBL5463476 | 0.73 | SIGMAR1 (0.40) | MAPK14MAPK13MAPK12MAPK11 |
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-7071198-B1 | Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma | PHARMACIA CORPORATION (US) | 2006-07-04 | — | — | US | disclosed |