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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 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 SCHEMBL14636006 | 1.00 | SMN1; SMN2 (0.45) | SMN1; SMN2HTTNPC1GAAMAPT | |
| Cyclohexane Carboxamide SCHEMBL6642170 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTNPC1GAAMAPT | |
| Cyclohexane Carboxamide SCHEMBL14636301 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTNPC1GAAMAPT | |
| Cyclohexane Carboxamide SCHEMBL6642173 | 0.98 | SMN1; SMN2 (0.48) | SMN1; SMN2HTTNPC1GAAMAPT | |
| Cyclohexane Carboxamide SCHEMBL27390669 | 0.96 | SMN1; SMN2 (0.47) | SMN1; SMN2HTTNPC1GAAMAPT | |
| Maleic Acid SCHEMBL30665642 | 0.90 | TSHR (0.47) | SMN1; SMN2HTTNPC1GAAMAPT | |
| Fumaric Acid SCHEMBL30852696 | 0.90 | TSHR (0.47) | SMN1; SMN2HTTNPC1GAAMAPT | |
| Bicarbonate SCHEMBL9032315 | 0.85 | KDM4E (0.50) | SMN1; SMN2GAAMAPTKMT2AKDM4E | |
| SCHEMBL176610 | 0.84 | — | — | |
| Cyclohexane Carboxamide SCHEMBL9031061 | 0.82 | CES2 (0.52) | SMN1; SMN2MAPTKMT2AKDM4EATM |
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-2734524-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013010950-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-01-24 | — | — | WO | disclosed |