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 | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.36 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.34 |
| ▸ | HTR3B | O95264 | 2/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 SCHEMBL7437214 | 1.00 | HTR3A (0.36) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| SCHEMBL8962746 | 0.93 | HTR3A (0.39) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Fumaric Acid SCHEMBL7332370 | 0.84 | CYP19A1 (0.43) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Maleic Acid SCHEMBL9787639 | 0.84 | CYP19A1 (0.43) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Maleic Acid SCHEMBL9597128 | 0.82 | PADI4 (0.36) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Fumaric Acid SCHEMBL9597136 | 0.82 | PADI4 (0.36) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Maleic Acid SCHEMBL10460281 | 0.81 | HTR3A (0.35) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Fumaric Acid SCHEMBL10460283 | 0.81 | HTR3A (0.35) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Galdansetron SCHEMBL10522157 | 0.80 | CYP3A4 (0.55) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A | |
| Galdansetron SCHEMBL10522146 | 0.80 | CYP3A4 (0.55) | HTR3ACYP1A2CYP3A4ADRA2CHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2049772-A | — | — | None | — | — | JP | disclosed |
| US-5116984-A | 5-hydroxytryptamine antagonists | GLAXO GROUP LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| JP-H0249772-A | IMIDAZOLE DERIVATIVE | GLAXO GROUP LTD | 1990-02-20 | — | — | JP | disclosed |
| EP-0336759-A1 | Imidazole derivatives | GLAXO GROUP LIMITED (GB) | 1989-10-11 | — | — | EP | disclosed |