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 | |
|---|---|---|---|---|
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.54 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.54 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | MUS81 | Q96NY9 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
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 SCHEMBL5748946 | 1.00 | HTR1B (0.54) | HTR1BHTR2BGPR65KDM4ENPSR1 | |
| Maleic Acid SCHEMBL5751274 | 0.92 | HTR1B (0.51) | HTR1BHTR2BGPR65KDM4ENPSR1 | |
| Fumaric Acid SCHEMBL5751277 | 0.92 | HTR1B (0.51) | HTR1BHTR2BGPR65KDM4ENPSR1 | |
| SCHEMBL8386261 | 0.91 | HTR1B (0.64) | HTR1BHTR2BGPR65KDM4ENPSR1 | |
| Fumaric Acid SCHEMBL7079401 | 0.84 | HTR1B (0.36) | HTR1BHTR2BGPR65KDM4EADORA2A | |
| Fumaric Acid SCHEMBL7079403 | 0.84 | HTR1B (0.36) | HTR1BHTR2BGPR65KDM4EADORA2A | |
| Fumaric Acid SCHEMBL5745877 | 0.84 | HTR1B (0.51) | HTR1BHTR2BGPR65KDM4ENPSR1 | |
| Maleic Acid SCHEMBL5745874 | 0.84 | HTR1B (0.51) | HTR1BHTR2BGPR65KDM4ENPSR1 | |
| SCHEMBL7071787 | 0.83 | HTR1B (0.50) | HTR1BHTR2BGPR65KDM4ENPSR1 | |
| Fumaric Acid SCHEMBL5773986 | 0.82 | HTR1B (0.80) | HTR1BHTR2BGPR65ADORA2AADORA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-1321169-A1 | Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament | Biofrontera Pharmaceuticals AG (DE) | 2003-06-25 | — | — | EP | disclosed |
| US-5958934-A | 5-HT 2B ANTAGONIST | SYNTEX (U.S.A.) INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5952331-A | SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER | SYNTEX (USA) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | disclosed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |