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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
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 SCHEMBL7878800 | 1.00 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7886495 | 1.00 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7883822 | 1.00 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7883810 | 1.00 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7883803 | 1.00 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7883826 | 1.00 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7886498 | 1.00 | OPRM1 (0.47) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7007959 | 0.95 | OPRM1 (0.46) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| Fumaric Acid SCHEMBL7007957 | 0.95 | OPRM1 (0.46) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| SCHEMBL7878616 | 0.89 | OPRL1 (0.55) | OPRM1OPRD1OPRK1OPRL1HRH3 |
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-0970957-B1 | Diaza-spiro[3,5] nonane derivatives | HOFFMANN LA ROCHE (CH) | 2001-08-16 | — | — | EP | disclosed |
| US-6113527-A | 3,3-BIS-HYDROXYMETHYL-7-(CIS-4-ISOPROPYL-CYCLOHEXYL)-1-PHENYL -1,7-DIAZA-SPIRO-(3.5)NONANE-2-ONE, FOR EXAMPLE; AGONISTS OF THE ORPHANIN FQ (OFQ) RECEPTOR; USEFUL IN THE TREATMENT OF PSYCHIATRIC, NEUROLOGICAL AND PHYSIOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970957-A1 | Diaza-spiro[3,5] nonane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2000-01-12 | — | — | EP | disclosed |