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 | 2/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.42 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.42 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10909585 | 0.94 | MEN1 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL10365808 | 0.80 | MAPT (0.47) | MEN1ALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL10365911 | 0.78 | ALDH1A1 (0.49) | MEN1ALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL10907133 | 0.76 | ALDH1A1 (0.36) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL10907186 | 0.76 | CNR2 (0.45) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Bromide SCHEMBL10365280 | 0.75 | CNR2 (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Fumaric Acid SCHEMBL10366169 | 0.73 | MEN1 (0.40) | MEN1ALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL10366284 | 0.69 | ALDH1A1 (0.46) | MEN1ALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL10366286 | 0.69 | MEN1 (0.46) | GABRA1GABRB1MEN1ALDH1A1MAPT | |
| SCHEMBL10909334 | 0.66 | CYP1A2 (0.51) | MEN1ALDH1A1MAPTKMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0167922-B1 | Pyrrolo [1,2-b] [1,2,5] triazepines, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1990-03-28 | — | — | EP | disclosed |
| US-4588727-A | ANALGESICS, TRANQUILLIZERS, ANTICONVULSANTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-05-13 | — | — | US | disclosed |
| EP-0167922-A2 | Pyrrolo [1,2-b] [1,2,5] triazepines, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1986-01-15 | — | — | EP | disclosed |
| US-4517195-A | ANALGESICS, ANXIETY, ANTICONVULSANTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-05-14 | — | — | US | disclosed |