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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.89 |
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 SCHEMBL14630984 | 1.00 | SIGMAR1 (0.89) | SIGMAR1 | |
| Maleic Acid SCHEMBL14631377 | 0.99 | SIGMAR1 (0.89) | SIGMAR1 | |
| Fumaric Acid SCHEMBL14631380 | 0.99 | SIGMAR1 (0.89) | SIGMAR1 | |
| Maleic Acid SCHEMBL14631048 | 0.94 | SIGMAR1 (0.89) | SIGMAR1 | |
| Maleic Acid SCHEMBL14631131 | 0.94 | SIGMAR1 (0.89) | SIGMAR1 | |
| Fumaric Acid SCHEMBL14631050 | 0.94 | SIGMAR1 (0.89) | SIGMAR1 | |
| Fumaric Acid SCHEMBL14631132 | 0.94 | SIGMAR1 (0.89) | SIGMAR1 | |
| SCHEMBL14646794 | 0.94 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL14635612 | 0.93 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL14636069 | 0.93 | SIGMAR1 (1.00) | SIGMAR1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9567338-B2 | Pyrazolo[3,4-d]pyrimidine compounds, their preparation and use as sigma ligands | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2017-02-14 | — | — | US | claimed |
| EP-2734524-B1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | ESTEVE LABOR DR (ES) | 2017-01-11 | — | — | EP | claimed |
| US-20150315190-A2 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2015-11-05 | — | — | US | claimed |
| US-20140163010-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2014-06-12 | — | — | US | claimed |
| 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 | claimed |
| 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 | claimed |
| EP-2548878-A1 | Pyrazolo[3,4-d]pyrimidine compounds, their preparation and use as sigma ligands | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-01-23 | — | — | EP | claimed |
| US-9567338-B2 | Pyrazolo[3,4-d]pyrimidine compounds, their preparation and use as sigma ligands | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2017-02-14 | — | — | US | disclosed |
| EP-2734524-B1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | ESTEVE LABOR DR (ES) | 2017-01-11 | — | — | EP | disclosed |
| US-20150315190-A2 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2015-11-05 | — | — | US | disclosed |
| US-20140163010-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2014-06-12 | — | — | US | disclosed |
| 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 |
| EP-2548878-A1 | Pyrazolo[3,4-d]pyrimidine compounds, their preparation and use as sigma ligands | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-01-23 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150315190-A2 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | SIGMAR1, P2RX4, P2RX3 | SIGMAR1 1/4885 |
| US-20140163010-A1 | PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS | SIGMAR1, P2RX4, P2RX3 | SIGMAR1 1/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.