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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.50 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.50 |
| ▸ | MEN1 known ✓ | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A known ✓ | Q03164 | 5/20 | 0.46 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.46 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.46 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.46 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.46 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.46 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.46 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
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 SCHEMBL7676265 | 0.85 | HTR2A (0.52) | LMNAKDM4EMAPTALDH1A1HTR2A | |
| Fumaric Acid SCHEMBL7673522 | 0.84 | HTR2A (0.53) | LMNAKDM4EMAPTALDH1A1HTR2A | |
| Fumaric Acid SCHEMBL7673519 | 0.83 | HTR2A (0.54) | LMNAKDM4EMAPTALDH1A1HTR2A | |
| Fumaric Acid SCHEMBL7673698 | 0.81 | HTR2A (0.52) | LMNAKDM4EMAPTALDH1A1HTR2A | |
| Fumaric Acid SCHEMBL7676268 | 0.80 | HTR2A (0.81) | LMNAKDM4EMAPTHTR2AHTR2C | |
| Fumaric Acid SCHEMBL7676257 | 0.80 | HTR2A (0.81) | LMNAKDM4EMAPTHTR2AHTR2C | |
| SCHEMBL14234875 | 0.75 | ALDH1A1 (0.63) | LMNAKDM4EMAPTALDH1A1PTK2B | |
| SCHEMBL27521564 | 0.75 | KDM4E (0.56) | LMNAKDM4EMAPTALDH1A1PTK2B | |
| SCHEMBL7673694 | 0.74 | HTR2A (0.54) | LMNAMAPTALDH1A1HTR2AHTR2C | |
| SCHEMBL7673687 | 0.73 | HTR2A (0.52) | LMNAALDH1A1HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6380238-B1 | FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA | VERNALIS RESEARCH LIMITED (GB) | 2002-04-30 | — | — | US | disclosed |
| EP-1109784-A1 | INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012475-A1 | INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |