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 | 0.80 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.80 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.80 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL5773984 | 1.00 | HTR1B (0.80) | HTR1BHTR2BGPR65CDK1CDK2 | |
| SCHEMBL29385708 | 0.89 | HTR1B (1.00) | HTR1BHTR2BGPR65CDK1CDK2 | |
| SCHEMBL375979 | 0.89 | HTR1B (1.00) | HTR1BHTR2BGPR65CDK1CDK2 | |
| SCHEMBL29391421 | 0.89 | HTR1B (1.00) | HTR1BHTR2BGPR65CDK1CDK2 | |
| SCHEMBL8469545 | 0.88 | HTR1B (0.97) | HTR1BHTR2BGPR65CDK1CDK2 | |
| Hydrochloric Acid SCHEMBL5746097 | 0.88 | HTR1B (0.97) | HTR1BHTR2BGPR65CDK1CDK2 | |
| Fumaric Acid SCHEMBL5748946 | 0.82 | HTR1B (0.54) | HTR1BHTR2BGPR65GRM2ADORA2A | |
| Fumaric Acid SCHEMBL5748951 | 0.82 | HTR1B (0.54) | HTR1BHTR2BGPR65GRM2ADORA2A | |
| SCHEMBL5749142 | 0.81 | HTR1B (0.84) | HTR1BHTR2BGPR65CDK1CDK2 | |
| Fumaric Acid SCHEMBL5751277 | 0.80 | HTR1B (0.51) | 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 |