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 | 2/20 | 0.35 |
| ▸ | MAP2K2 known ✓ | P36507 | 1/20 | 0.35 |
| ▸ | MAP2K1 known ✓ | Q02750 | 1/20 | 0.35 |
| ▸ | PLK4 known ✓ | O00444 | 1/20 | 0.35 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.35 |
| ▸ | AXL known ✓ | P30530 | 1/20 | 0.35 |
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.35 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.35 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 19/20 | 0.66 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.66 |
| ▸ | FGFR1 | P11362 | 5/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | FLT1 | P17948 | 2/20 | 0.35 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.35 |
| ▸ | STK3 | Q13188 | 2/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.35 |
| ▸ | GAK | O14976 | 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 SCHEMBL6090861 | 1.00 | KDR (0.66) | KDRCHEK1FGFR1PDGFRBAURKA | |
| SCHEMBL6090076 | 0.93 | KDR (0.74) | KDRCHEK1FGFR1PDGFRBAURKA | |
| SCHEMBL6090086 | 0.93 | KDR (0.74) | KDRCHEK1FGFR1PDGFRBAURKA | |
| Fumaric Acid SCHEMBL6091860 | 0.90 | KDR (0.65) | KDRCHEK1FGFR1PDGFRBAURKA | |
| Maleic Acid SCHEMBL6091845 | 0.90 | KDR (0.65) | KDRCHEK1FGFR1PDGFRBAURKA | |
| SCHEMBL6089731 | 0.87 | KDR (0.71) | KDRCHEK1FGFR1PDGFRBAURKA | |
| SCHEMBL6090954 | 0.85 | KDR (0.82) | KDRCHEK1FGFR1PDGFRBAURKA | |
| SCHEMBL6090461 | 0.85 | KDR (0.82) | KDRCHEK1FGFR1PDGFRBAURKA | |
| SCHEMBL6090476 | 0.85 | KDR (0.82) | KDRCHEK1FGFR1PDGFRBAURKA | |
| SCHEMBL6090962 | 0.85 | KDR (0.82) | KDRCHEK1FGFR1PDGFRBAURKA |
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 |