Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.37 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | NOS2 | P35228 | 4/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 6/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.36 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.35 |
| ▸ | INMT | O95050 | 3/20 | 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 SCHEMBL9060412 | 1.00 | NOS3 (0.37) | NOS3NOS1NOS2GABRA5GABRB2 | |
| SCHEMBL9060276 | 0.85 | — | — | |
| Bromide SCHEMBL9060815 | 0.83 | NOS1 (0.47) | NOS3NOS1NOS2GABRA5GABRB2 | |
| Fumaric Acid SCHEMBL9062177 | 0.75 | GABRA1 (0.36) | GABRA5GABRB2GABRA1GABRR1GABRA4 | |
| Fumaric Acid SCHEMBL9062173 | 0.75 | GABRA1 (0.36) | GABRA5GABRB2GABRA1GABRR1GABRA4 | |
| SCHEMBL3191452 | 0.73 | — | — | |
| Fumaric Acid SCHEMBL9061332 | 0.73 | GABRA1 (0.36) | NOS1NOS2GABRA5GABRB2GABRA1 | |
| Fumaric Acid SCHEMBL9061326 | 0.73 | GABRA1 (0.36) | NOS1NOS2GABRA5GABRB2GABRA1 | |
| Fumaric Acid SCHEMBL9060908 | 0.72 | GABRA1 (0.43) | GABRA5GABRB2GABRA1GABRR1GABRA4 | |
| Fumaric Acid SCHEMBL9060916 | 0.72 | GABRA1 (0.43) | GABRA5GABRB2GABRA1GABRR1GABRA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0717040-A1 | Thiazine or thiazepine derivatives which inhibit NOS | Japan Tobacco Inc. (JP) | 1996-06-19 | — | — | EP | disclosed |