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 | |
|---|---|---|---|---|
| ▸ | HTR4 known ✓ | Q13639 | 2/20 | 0.70 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.62 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.62 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.62 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.62 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.62 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.62 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.62 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.62 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.62 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.62 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | DRD4 | P21917 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.62 |
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 SCHEMBL6588341 | 1.00 | HTR4 (0.70) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| SCHEMBL6586647 | 0.95 | HTR4 (0.76) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 | |
| Fumaric Acid SCHEMBL6588050 | 0.90 | HTR4 (0.57) | HTR4CYP3A4ACHE | |
| Fumaric Acid SCHEMBL6588043 | 0.90 | HTR4 (0.57) | HTR4CYP3A4ACHE | |
| Fumaric Acid SCHEMBL11546983 | 0.88 | CYP3A4 (0.73) | HTR4CYP3A4 | |
| Fumaric Acid SCHEMBL11546990 | 0.88 | CYP3A4 (0.73) | HTR4CYP3A4 | |
| SCHEMBL6584648 | 0.88 | HTR4 (0.68) | HTR4 | |
| SCHEMBL6586556 | 0.87 | HTR4 (0.66) | HTR4 | |
| SCHEMBL6585186 | 0.87 | HTR4 (0.64) | HTR4ACHE | |
| SCHEMBL6586824 | 0.87 | HTR4 (0.64) | HTR4CYP3A4CYP1A2ADRA2ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1076055-B1 | 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS | DAINIPPON PHARMACEUTICAL CO (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6294555-B1 | SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2001-09-25 | — | — | US | disclosed |
| EP-1076055-A1 | 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS | Dainippon Pharmaceutical Co., Ltd. (JP) | 2001-02-14 | — | — | EP | disclosed |