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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 4/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.54 |
| ▸ | HTR3B | O95264 | 2/20 | 0.54 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.54 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 SCHEMBL9656166 | 1.00 | HTR3A (0.54) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL8962511 | 0.94 | HTR3A (0.60) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL9656628 | 0.81 | HTR3A (0.49) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL9656635 | 0.81 | HTR3A (0.49) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL7324258 | 0.81 | HTR3E (0.56) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL7324270 | 0.81 | HTR3E (0.56) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL9657363 | 0.80 | HTR3E (0.55) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL9657367 | 0.80 | HTR3E (0.55) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Maleic Acid SCHEMBL9657342 | 0.80 | HTR3E (0.53) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| Fumaric Acid SCHEMBL9657347 | 0.80 | HTR3E (0.53) | HTR3AHTR3EHTR3BHTR3DHTR3C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0291172-B1 | KETONE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1992-11-19 | — | — | EP | disclosed |
| US-5084474-A | Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole | GLAXO GROUP LIMITED (GB) | 1992-01-28 | — | — | US | disclosed |
| US-5019586-A | 5-Hydroxytryptamine Receptor Antagonists | GLAXO GROUP LIMITED | 1991-05-28 | — | — | US | disclosed |
| US-4918080-A | ANXIOLYTIC AGENTS, ANTIEMETICS | GLAXO GROUP LIMITED (GB) | 1990-04-17 | — | — | US | disclosed |
| EP-0291172-A1 | Ketone derivatives | GLAXO GROUP LIMITED (GB) | 1988-11-17 | — | — | EP | disclosed |