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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 9/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 6/20 | 0.46 |
| ▸ | DRD2 known ✓ | P14416 | 6/20 | 0.46 |
| ▸ | HTR2A known ✓ | P28223 | 6/20 | 0.46 |
| ▸ | KCNH2 known ✓ | Q12809 | 6/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.46 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.46 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.46 |
| ▸ | CHRM2 known ✓ | P08172 | 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 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.46 |
| ▸ | HTR2B known ✓ | P41595 | 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 SCHEMBL9630697 | 0.83 | EED (0.56) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| SCHEMBL9535893 | 0.79 | HTR1A (0.53) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| SCHEMBL11482756 | 0.79 | SSTR5 (0.64) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| SCHEMBL9537908 | 0.78 | HTR1A (0.52) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| SCHEMBL9690928 | 0.76 | EED (0.62) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| SCHEMBL11471673 | 0.74 | HRH1 (0.52) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| Hydrochloric Acid SCHEMBL9740587 | 0.72 | CYP2D6 (0.56) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| SCHEMBL11487988 | 0.72 | SSTR5 (0.52) | HRH1HTR1ADRD2HTR2AKCNH2 | |
| Nitric Acid SCHEMBL11473705 | 0.71 | SSTR5 (0.48) | HRH1KCNH2CYP2D6CHRM1TACR2 | |
| Nitric Acid SCHEMBL11473708 | 0.71 | SSTR5 (0.48) | HRH1KCNH2CYP2D6CHRM1TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5025014-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-06-18 | — | — | US | disclosed |
| US-4888426-A | CHEMICAL INTERMEDIATES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-12-19 | — | — | US | disclosed |
| US-4695569-A | ANTIALLERGENS | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| EP-0144101-A2 | Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-12 | — | — | EP | disclosed |