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 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.53 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.40 |
| ▸ | GABRD | O14764 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.40 |
| ▸ | GABRE | P78334 | 2/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.40 |
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 SCHEMBL14636270 | 1.00 | TSHR (0.53) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL4347274 | 0.88 | TSHR (0.53) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL20601184 | 0.81 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Maleic Acid SCHEMBL27559778 | 0.81 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL9617453 | 0.81 | TSHR (0.60) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Pivalamide SCHEMBL2484 | 0.80 | — | — | |
| Pivalamide SCHEMBL28053272 | 0.80 | LMNA (0.56) | TSHRTDP1BLMLMNAALDH1A1 | |
| Fumaric Acid SCHEMBL28090533 | 0.79 | TSHR (0.56) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Pivalamide SCHEMBL11668554 | 0.78 | LMNA (0.53) | TSHRLMNAALDH1A1HSD17B10MAPT | |
| Maleic Acid SCHEMBL29040732 | 0.78 | GABRP (0.54) | TSHRTP53EGLN1EGLN3HCAR2 |
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 3 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 |
| CN-103797013-A | Pyrazolo [3,4-d ] pyrimidine compounds, their preparation and use as sigma ligands | ESTEVE LABOR DR | 2014-05-14 | — | — | CN | 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 |