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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.41 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
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 SCHEMBL11085674 | 1.00 | SLC6A2 (0.41) | SLC6A2SLC6A3SLC6A4GAAGFER | |
| SCHEMBL11640644 | 0.81 | SLC6A4 (0.50) | SLC6A2SLC6A3SLC6A4GABRPGABRD | |
| SCHEMBL11089928 | 0.78 | L3MBTL1 (0.43) | L3MBTL1 | |
| SCHEMBL11640422 | 0.75 | SLC6A2 (0.40) | SLC6A2SLC6A3SLC6A4F10F2 | |
| Hydrochloric Acid SCHEMBL11638333 | 0.74 | SLC6A2 (0.39) | SLC6A2SLC6A3SLC6A4F10F2 | |
| SCHEMBL11090007 | 0.72 | ERN1 (0.44) | L3MBTL1 | |
| SCHEMBL2705061 | 0.70 | RECQL (0.60) | SLC6A2SLC6A3SLC6A4GABRPGABRD | |
| SCHEMBL12433976 | 0.70 | FOLH1 (0.54) | SLC6A2SLC6A3SLC6A4ITGB1ITGA4 | |
| SCHEMBL6048518 | 0.69 | SLC6A4 (0.57) | SLC6A2SLC6A3SLC6A4RORCL3MBTL1 | |
| Benzene SCHEMBL11636032 | 0.69 | L3MBTL1 (0.45) | L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4434100-A | TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC | CIBA-GEIGY CORPORATION (US) | 1984-02-28 | — | — | US | disclosed |
| US-4356176-A | TRANQUILIZERS, ANTICONVULSANT | CIBA-GEIGY CORPORATION (US) | 1982-10-26 | — | — | US | disclosed |
| US-4315926-A | ANXIOLYTIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1982-02-16 | — | — | US | disclosed |