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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 5/20 | 0.36 |
| ▸ | GABRD | O14764 | 5/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.36 |
| ▸ | GABRE | P78334 | 5/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 5/20 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL10680901 | 1.00 | TSHR (0.37) | TSHRTP53HSD17B10GABRPGABRD | |
| SCHEMBL465755 | 0.84 | — | — | |
| SCHEMBL11119468 | 0.74 | GABRA5 (0.53) | HSD17B10GABRPGABRDGABRA1GABRB1 | |
| Maleic Acid SCHEMBL25396094 | 0.73 | NPSR1 (0.46) | TSHRTP53HSD17B10GABRPGABRD | |
| Maleic Acid SCHEMBL25396092 | 0.73 | NPSR1 (0.46) | TSHRTP53HSD17B10GABRPGABRD | |
| SCHEMBL7368934 | 0.70 | KDM4E (0.49) | TSHRHSD17B10KDM4EALDH1A1KMT2A | |
| SCHEMBL7084096 | 0.70 | HTT (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL18989524 | 0.70 | CYP2C9 (0.39) | TSHRHSD17B10GABRPGABRDGABRA1 | |
| SCHEMBL11349002 | 0.69 | — | — | |
| SCHEMBL3740212 | 0.69 | ALDH1A1 (0.43) | HSD17B10GABRPGABRDGABRA1GABRB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4762932-A | Haloguanidine intermediates | IMPERIAL CHEMICAL INDUSTRIES, LTD. (GB) | 1988-08-09 | — | — | US | disclosed |
| US-4604465-A | Haloguanidine intermediates | ICI AMERICAS, INC. (US) | 1986-08-05 | — | — | US | disclosed |
| EP-0030092-B1 | GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-02-06 | — | — | EP | disclosed |
| US-4362728-A | Haloguanidine compounds, pharmaceutical compositions and methods of use | ICI AMERICAS INC. (US) | 1982-12-07 | — | — | US | disclosed |
| EP-0030092-A1 | Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-06-10 | — | — | EP | disclosed |