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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.38 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
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 SCHEMBL8874476 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL8598922 | 0.89 | ALDH1A1 (0.39) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| Fumaric Acid SCHEMBL8873364 | 0.78 | CYP3A4 (0.41) | GAAKDM4EMAPK1NOTUML3MBTL1 | |
| Fumaric Acid SCHEMBL8875809 | 0.77 | MEN1 (0.38) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| Fumaric Acid SCHEMBL8875813 | 0.77 | MEN1 (0.38) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL8598238 | 0.64 | HSD17B3 (0.35) | ALDH1A1NOTUMMEN1KMT2AKCNH2 | |
| SCHEMBL8874931 | 0.64 | MAPK1 (0.48) | ALDH1A1HPGDGAAKDM4EMAPK1 | |
| SCHEMBL8614715 | 0.63 | HRH1 (0.50) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL8614712 | 0.63 | HRH1 (0.50) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| Doxepin SCHEMBL10340679 | 0.63 | HTR2B (0.81) | ALDH1A1KDM4ETSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5646173-A | ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-08 | — | — | US | disclosed |