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 | 3/20 | 0.36 |
| ▸ | MAP2K2 known ✓ | P36507 | 1/20 | 0.36 |
| ▸ | MAP2K1 known ✓ | Q02750 | 1/20 | 0.36 |
| ▸ | PLK4 known ✓ | O00444 | 1/20 | 0.36 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.36 |
| ▸ | AXL known ✓ | P30530 | 1/20 | 0.36 |
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.36 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.36 |
| ▸ | EGFR known ✓ | P00533 | 3/20 | 0.32 |
| ▸ | ATP4A known ✓ | P20648 | 1/20 | 0.30 |
| ▸ | ATP4B known ✓ | P51164 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 14/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 11/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 10/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | FLT1 | P17948 | 2/20 | 0.36 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.36 |
| ▸ | STK3 | Q13188 | 2/20 | 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 SCHEMBL6090125 | 1.00 | CHEK1 (0.44) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| Maleic Acid SCHEMBL6090118 | 1.00 | CHEK1 (0.44) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6090284 | 0.93 | CHEK1 (0.47) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6090290 | 0.93 | CHEK1 (0.47) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6089563 | 0.83 | KDR (0.46) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6090456 | 0.82 | CHEK1 (0.45) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6088588 | 0.82 | KDR (0.54) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6088583 | 0.82 | KDR (0.54) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6090679 | 0.81 | CHEK1 (0.49) | CHEK1KDRFGFR1PDGFRBFLT3 | |
| SCHEMBL6091010 | 0.81 | CHEK1 (0.67) | CHEK1KDRFGFR1PDGFRBFLT3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218373-A2 | 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | claimed |
| WO-2001009121-A2 | 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | claimed |
| US-7060822-B1 | 2-pyrazolin-5-ones | ABBOTT GMBH & CO. KG (DE) | 2006-06-13 | — | — | US | disclosed |
| EP-1218373-A2 | 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001009121-A2 | 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | disclosed |