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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 8/20 | 0.81 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.54 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.52 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.52 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.52 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.52 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.52 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.52 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.52 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.52 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.52 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.52 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.52 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.52 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL29699565 | 1.00 | DRD4 (0.81) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| Maleic Acid SCHEMBL467099 | 1.00 | DRD4 (0.81) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| SCHEMBL10873714 | 0.90 | DRD2 (1.00) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| SCHEMBL11563888 | 0.82 | DRD2 (1.00) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| SCHEMBL14218592 | 0.77 | DRD2 (0.74) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| Clopipazan SCHEMBL11573662 | 0.77 | SETD7 (0.61) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| Clopipazan SCHEMBL11573664 | 0.77 | SETD7 (0.61) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| Metoxepin SCHEMBL2109740 | 0.74 | DRD2 (0.70) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| SCHEMBL11577989 | 0.72 | MAPT (0.56) | DRD4DRD2MAPTCYP1A2CYP3A4 | |
| SCHEMBL11577371 | 0.71 | DRD2 (0.67) | DRD4DRD2MAPTCYP1A2CYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2090311-A1 | Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-08-19 | — | — | EP | claimed |
| EP-1787679-A1 | Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-05-23 | — | — | EP | claimed |
| EP-2600863-B1 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | ESTEVE LABOR DR (ES) | 2018-03-28 | — | — | EP | disclosed |
| EP-2646025-B1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | ESTEVE LABOR DR (ES) | 2017-03-15 | — | — | EP | disclosed |
| EP-2531191-B1 | Sigma ligands for use in the prevention and/or treatment of postoperative pain | ESTEVE LABOR DR (ES) | 2016-03-30 | — | — | EP | disclosed |
| EP-2571501-B1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | ESTEVE LABOR DR (ES) | 2016-03-02 | — | — | EP | disclosed |
| EP-2460519-A1 | Use of sigma ligands in bone cancer pain | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-06-06 | — | — | EP | disclosed |
| EP-2415471-A1 | Use of sigma ligands in opioid-induced hyperalgesia | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-02-08 | — | — | EP | disclosed |
| EP-2388005-A1 | Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-11-23 | — | — | EP | disclosed |
| EP-2353598-A1 | Sigma ligands for use in the prevention and/or treatment of postoperative pain | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-08-10 | — | — | EP | disclosed |
| EP-2090311-A1 | Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-08-19 | — | — | EP | disclosed |
| EP-1787679-A1 | Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-05-23 | — | — | EP | disclosed |