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 | |
|---|---|---|---|---|
| ▸ | FLT3 known ✓ | P36888 | 9/20 | 0.36 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.35 |
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.35 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | FRK | P42685 | 1/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.36 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.36 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.36 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.36 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.36 |
| ▸ | RPS6KA6 | Q9UK32 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
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 SCHEMBL765350 | 1.00 | FLT3 (0.36) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| Fumaric Acid SCHEMBL765351 | 1.00 | FLT3 (0.36) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| SCHEMBL744854 | 0.96 | FLT3 (0.38) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| Bromide SCHEMBL741865 | 0.95 | FLT3 (0.38) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| Hydrochloric Acid SCHEMBL744245 | 0.95 | FLT3 (0.38) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| SCHEMBL743507 | 0.93 | FLT3 (0.37) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| SCHEMBL743360 | 0.88 | FGFR1 (0.38) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| SCHEMBL744085 | 0.88 | FGFR1 (0.46) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| SCHEMBL742909 | 0.88 | FLT3 (0.37) | FLT3FGFR1MAPK9RPS6KA3PRKCD | |
| SCHEMBL3609437 | 0.88 | ACVR1 (0.41) | FLT3FGFR1MAPK9RPS6KA3PRKCD |
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-8138336-B2 | Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase | BAYER HEALTHCARE LLC (US) | 2012-03-20 | — | — | US | disclosed |