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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 3/20 | 0.52 |
| ▸ | JAK2 known ✓ | O60674 | 3/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.56 |
| ▸ | KDR | P35968 | 3/20 | 0.56 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.56 |
| ▸ | PIM2 | Q9P1W9 | 4/20 | 0.43 |
| ▸ | BRD4 | O60885 | 3/20 | 0.42 |
| ▸ | TTK | P33981 | 3/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL16514328 | 1.00 | FGFR1 (0.56) | FGFR1KDRFGFR2EGFRPIM2 | |
| SCHEMBL16514587 | 0.88 | FGFR1 (0.55) | FGFR1KDRFGFR2EGFRPIM2 | |
| SCHEMBL16514436 | 0.85 | EGFR (0.62) | FGFR1KDRFGFR2EGFRPIM2 | |
| Maleic Acid SCHEMBL26980891 | 0.84 | FGFR1 (0.79) | FGFR1KDRFGFR2EGFRJAK2 | |
| Maleic Acid SCHEMBL16514196 | 0.84 | FGFR1 (0.79) | FGFR1KDRFGFR2EGFRJAK2 | |
| Fumaric Acid SCHEMBL16514197 | 0.84 | FGFR1 (0.79) | FGFR1KDRFGFR2EGFRJAK2 | |
| SCHEMBL16513994 | 0.83 | EGFR (0.63) | FGFR1KDRFGFR2EGFRPIM2 | |
| SCHEMBL16514319 | 0.82 | FGFR1 (0.49) | FGFR1KDRFGFR2EGFRPIM2 | |
| SCHEMBL16515087 | 0.82 | FGFR2 (0.65) | FGFR1KDRFGFR2EGFRJAK2 | |
| SCHEMBL16513747 | 0.81 | EGFR (0.61) | FGFR1KDRFGFR2EGFRPIM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3035936-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NeuPharma, Inc. (US) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015027222-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2015-02-26 | — | — | WO | disclosed |