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 | |
|---|---|---|---|---|
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.40 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.40 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB known ✓ | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 4/20 | 0.39 |
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 SCHEMBL9853592 | 1.00 | CCNC (0.46) | CCNCCDK8ADORA2AADORA1GSK3B | |
| SCHEMBL9853589 | 0.87 | HTR2B (0.49) | ADORA2AADORA1HTR2BHTR5AMAPK8 | |
| SCHEMBL27843373 | 0.71 | CDK5 (0.45) | ADORA2AADORA1HTR2BHTR5ACLK4 | |
| SCHEMBL4058635 | 0.71 | CDK5 (0.47) | ADORA2AADORA1HTR2BHTR5ACLK4 | |
| SCHEMBL31695983 | 0.70 | MAPKAPK2 (0.45) | ADORA2AADORA1GSK3BHTR2BHTR5A | |
| SCHEMBL19432619 | 0.70 | ALK (0.45) | ADORA2AADORA1GSK3BHTR2BHTR5A | |
| SCHEMBL29419535 | 0.69 | ADORA2A (0.51) | ADORA2AADORA1GSK3BHTR2BHTR5A | |
| SCHEMBL4094629 | 0.69 | KDM4E (0.61) | ACMSDCA12 | |
| SCHEMBL31032063 | 0.68 | PARP1 (0.51) | CCNCCDK8MAP4K4ROS1FLT3 | |
| Naphthalene SCHEMBL2834571 | 0.67 | HCAR2 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0405426-A2 | Naphthylamino- and naphthyloxy-pyridinamines and related compounds, a process for their preparation and their use as dermatological agents | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-01-02 | — | — | EP | disclosed |