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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
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 SCHEMBL9549905 | 1.00 | MEN1 (0.41) | MEN1HTTKMT2AL3MBTL1MTNR1B | |
| SCHEMBL9764582 | 0.92 | OPRM1 (0.38) | MTNR1BMTNR1AOPRM1OPRD1OPRK1 | |
| Fumaric Acid SCHEMBL9764004 | 0.84 | MTNR1A (0.33) | MEN1HTTKMT2AL3MBTL1MTNR1B | |
| Fumaric Acid SCHEMBL9764009 | 0.84 | MTNR1A (0.33) | MEN1HTTKMT2AL3MBTL1MTNR1B | |
| SCHEMBL9550005 | 0.73 | FDFT1 (0.37) | — | |
| SCHEMBL9549926 | 0.71 | SIGMAR1 (0.47) | MEN1KMT2A | |
| SCHEMBL9550050 | 0.70 | HTR1A (0.44) | ALDH1A1 | |
| Fumaric Acid SCHEMBL9549906 | 0.69 | MAPT (0.47) | MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9549934 | 0.68 | BCHE (0.42) | ALDH1A1 | |
| Fumaric Acid SCHEMBL9549941 | 0.68 | MAPT (0.42) | ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5264575-A | Reacting 1,3-benzodiazocine-8-ol derivative with lutidine/2,6-/, triisoproylsilyltrifluoro methane, formed intermediate reacted with lithium chloride, tetrabutylammonium fluoride and isocyanate | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5097033-A | Aminoethyl quinoline 2-ones, intermediates for analgesic, and cholinergic agents for memory disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-03-17 | — | — | US | disclosed |
| US-5010083-A | Cognition activator; Alzheimer*s disease | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-04-23 | — | — | US | disclosed |
| EP-0335292-A2 | 2,6-Methano-1,3-benzodiazocines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-10-04 | — | — | EP | disclosed |