Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.60 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.60 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.60 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.86 |
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 SCHEMBL466969 | 1.00 | SIGMAR1 (0.86) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL7357328 | 0.93 | SIGMAR1 (1.00) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL7364658 | 0.77 | SIGMAR1 (0.76) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL7358604 | 0.76 | SIGMAR1 (0.74) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL7363419 | 0.76 | SIGMAR1 (0.74) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL7358803 | 0.76 | SIGMAR1 (1.00) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| Bromide SCHEMBL467156 | 0.75 | SIGMAR1 (1.00) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL16578740 | 0.71 | SIGMAR1 (0.62) | SIGMAR1 | |
| SCHEMBL8430052 | 0.70 | SIGMAR1 (0.61) | SIGMAR1 | |
| SCHEMBL10787275 | 0.70 | SIGMAR1 (0.61) | SIGMAR1DRD2HTR2AHTR2CHTR2B |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |