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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890871 | 0.90 | DRD2 (0.41) | LMNADRD2DRD4GPR84 | |
| Omigapil SCHEMBL978230 | 0.89 | PYCR1 (0.40) | KDM4EALDH1A1HPGDLMNADRD2 | |
| Omigapil SCHEMBL978229 | 0.89 | PYCR1 (0.40) | KDM4EALDH1A1HPGDLMNADRD2 | |
| Omigapil SCHEMBL5953608 | 0.89 | PYCR1 (0.40) | KDM4EALDH1A1HPGDLMNADRD2 | |
| Omigapil SCHEMBL29369408 | 0.89 | PYCR1 (0.40) | KDM4EALDH1A1HPGDLMNADRD2 | |
| Omigapil SCHEMBL5953610 | 0.89 | PYCR1 (0.40) | KDM4EALDH1A1HPGDLMNADRD2 | |
| Maleic Acid SCHEMBL8892159 | 0.85 | NPC1 (0.40) | KDM4EALDH1A1HPGDLMNADRD2 | |
| Omigapil SCHEMBL333032 | 0.78 | PYCR1 (0.45) | ALDH1A1LMNADRD2DRD4 | |
| Omigapil SCHEMBL29377962 | 0.78 | PYCR1 (0.45) | ALDH1A1LMNADRD2DRD4 | |
| SCHEMBL5953525 | 0.75 | DRD2 (0.41) | ALDH1A1LMNADRD2DRD4GPR84 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997045422-A1 | ANTI-NEURODEGENERATIVELY EFFECTIVE 10-AMINOALIPHATYL-DIBENZ[b,f]OXEPINE SALTS | NOVARTIS AG (CH) | 1997-12-04 | — | — | WO | claimed |