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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.52 |
| ▸ | HTR3B | O95264 | 2/20 | 0.52 |
| ▸ | HTR3A | P46098 | 2/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7298744 | 1.00 | HTR3E (0.52) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7299112 | 0.95 | HTR3E (0.57) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Maleic Acid SCHEMBL7265488 | 0.82 | HTR3E (0.65) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7332932 | 0.79 | MTNR1A (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9681702 | 0.78 | MTNR1A (0.41) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7301618 | 0.76 | MTNR1A (0.40) | MTNR1AMTNR1BHTR2AHTR2CMCL1 | |
| SCHEMBL7301624 | 0.76 | MTNR1A (0.40) | MTNR1AMTNR1BHTR2AHTR2CMCL1 | |
| Maleic Acid SCHEMBL7324754 | 0.76 | HTR3A (0.88) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Fumaric Acid SCHEMBL7324761 | 0.76 | HTR3A (0.88) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7294842 | 0.75 | MTNR1A (0.42) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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-5026696-A | Psychotic disorders, anziety, nausea and vomiting | GLAXO GROUP LIMITED (GB) | 1991-06-25 | — | — | US | disclosed |
| US-4963546-A | Ketone derivatives which are antagonists of 5-HT at 5-HT3 receptors, compositions containing them, and method of use | GLAXO GROUP LIMITED (GB) | 1990-10-16 | — | — | US | disclosed |
| EP-0327307-A2 | Tricyclic ketone derivatives having a 5-HT3 antagonist activity | GLAXO GROUP LIMITED (GB) | 1989-08-09 | — | — | EP | disclosed |