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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 SCHEMBL4774701 | 1.00 | POLB (0.50) | POLBALDH1A1CYP3A4CYP2C9HCRTR1 | |
| Fumaric Acid SCHEMBL4772611 | 0.93 | MCL1 (0.46) | POLBALDH1A1CYP3A4CYP2C9HCRTR1 | |
| Fumaric Acid SCHEMBL4772608 | 0.93 | MCL1 (0.46) | POLBALDH1A1CYP3A4CYP2C9HCRTR1 | |
| Fumaric Acid SCHEMBL4763898 | 0.92 | HDAC1 (0.50) | POLBALDH1A1CYP3A4CYP2C9MEN1 | |
| Fumaric Acid SCHEMBL4763894 | 0.92 | HDAC1 (0.50) | POLBALDH1A1CYP3A4CYP2C9MEN1 | |
| SCHEMBL7161609 | 0.92 | HCRTR1 (0.51) | POLBALDH1A1CYP3A4CYP2C9HCRTR1 | |
| Fumaric Acid SCHEMBL4769418 | 0.91 | KDM4E (0.51) | POLBALDH1A1CYP3A4CYP2C9MEN1 | |
| Fumaric Acid SCHEMBL4769416 | 0.91 | KDM4E (0.51) | POLBALDH1A1CYP3A4CYP2C9MEN1 | |
| Fumaric Acid SCHEMBL6166760 | 0.91 | POLB (0.57) | POLBALDH1A1CYP3A4CYP2C9MEN1 | |
| Fumaric Acid SCHEMBL6166765 | 0.91 | POLB (0.57) | POLBALDH1A1CYP3A4CYP2C9MEN1 |
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-1400513-B1 | UNSYMMETRICAL CYCLIC DIAMINE COMPOUND | KOWA CO (JP) | 2008-01-09 | — | — | EP | disclosed |
| EP-1400513-A1 | UNSYMMETRICAL CYCLIC DIAMINE COMPOUND | Kowa Co., Ltd. (JP) | 2004-03-24 | — | — | EP | disclosed |
| US-6552188-B2 | Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds | KOWA CO., LTD. (JP) | 2003-04-22 | — | — | US | disclosed |