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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL5453983 | 0.95 | — | — | |
| SCHEMBL7902213 | 0.95 | — | — | |
| SCHEMBL8102946 | 0.93 | — | — | |
| SCHEMBL8112243 | 0.93 | — | — | |
| SCHEMBL8116961 | 0.92 | — | — | |
| SCHEMBL8118032 | 0.92 | — | — | |
| SCHEMBL8103052 | 0.91 | — | — | |
| Fumaric Acid SCHEMBL956032 | 0.89 | ALDH1A1 (0.47) | — | |
| SCHEMBL8111914 | 0.88 | GAA (0.43) | — | |
| SCHEMBL8114156 | 0.87 | ALDH1A1 (0.44) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8906919-B2 | Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers | OZTEO PTY LTD (AU) | 2014-12-09 | — | — | US | claimed |
| US-20120172363-A1 | Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers | Ozleo Pty Ltd (AU) | 2012-07-05 | — | — | US | claimed |
| US-6191281-B1 | CRYSTALS OF A SALT OF (S)-(-)-2-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-3-(3-(N-METHYL-N -(2-(3,4-METHYLENEDIOXYPHENOXY)ETHYL)AMINO)PROPYL)-1, 3-THIAZOLIDINE-4-ONE, USEFUL AS ANTIISCHEMIC AGENT | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-02-20 | — | — | US | claimed |
| EP-0974591-A1 | CRYSTALLINE FUMARATE OF 2-PHENYL-1,3-THIAZOLIDINE-4-ON DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-01-26 | — | — | EP | claimed |
| US-8906919-B2 | Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers | OZTEO PTY LTD (AU) | 2014-12-09 | — | — | US | disclosed |
| US-20120172363-A1 | Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers | Ozleo Pty Ltd (AU) | 2012-07-05 | — | — | US | disclosed |
| EP-2453893-A1 | TREATMENT OF NON-NEURONAL AND NON-MYOCARDIAL CELL, TISSUE AND ORGAN DAMAGE AND ASSOCIATED PAIN WITH PERSISTENT SODIUM CURRENT BLOCKERS | Ozteo Pty Ltd (AU) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011003129-A1 | TREATMENT OF NON-NEURONAL AND NON-MYOCARDIAL CELL, TISSUE AND ORGAN DAMAGE AND ASSOCIATED PAIN WITH PERSISTENT SODIUM CURRENT BLOCKERS | OZTEO PTY LTD (AU) | 2011-01-13 | — | — | WO | disclosed |
| US-6191281-B1 | CRYSTALS OF A SALT OF (S)-(-)-2-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-3-(3-(N-METHYL-N -(2-(3,4-METHYLENEDIOXYPHENOXY)ETHYL)AMINO)PROPYL)-1, 3-THIAZOLIDINE-4-ONE, USEFUL AS ANTIISCHEMIC AGENT | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-02-20 | — | — | US | disclosed |
| EP-0974591-A1 | CRYSTALLINE FUMARATE OF 2-PHENYL-1,3-THIAZOLIDINE-4-ON DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-01-26 | — | — | EP | disclosed |