Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5855112 | 0.96 | HCAR2 (0.51) | HCAR2CYP2C19CYP2D6CYP3A4PPARG | |
| SCHEMBL11127289 | 0.81 | CYP2C19 (0.37) | CYP2C19CYP2D6CYP3A4PPARGPPARA | |
| SCHEMBL9709424 | 0.79 | HCAR2 (0.58) | HCAR2CYP2C19PPARGPPARAMDM4 | |
| SCHEMBL9860853 | 0.79 | HCAR2 (0.58) | HCAR2CYP2C19PPARGPPARAMDM4 | |
| SCHEMBL9709425 | 0.79 | HCAR2 (0.58) | HCAR2CYP2C19PPARGPPARAMDM4 | |
| SCHEMBL27720282 | 0.79 | MAPT (0.39) | CYP2C19CYP2D6CYP3A4LMNAMAPT | |
| SCHEMBL27741031 | 0.79 | MAPT (0.39) | CYP2C19CYP2D6CYP3A4LMNAMAPT | |
| SCHEMBL9738617 | 0.75 | THRB (0.40) | HCAR2CYP2C19CYP2D6PPARGPPARA | |
| SCHEMBL8067297 | 0.75 | CYP2D6 (0.39) | CYP2C19CYP2D6CYP3A4MAPTALDH1A1 | |
| SCHEMBL13979422 | 0.75 | CYP2D6 (0.39) | CYP2C19CYP2D6CYP3A4MAPTALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7038076-B2 | Fumarate derivative, method for producing the same | SHOWA DENKO K.K. (JP) | 2006-05-02 | — | — | US | disclosed |
| US-20030060563-A1 | Fumarate derivative, method for producing the same | SHOWA DENKO K.K. (JP) | 2003-03-27 | — | — | US | disclosed |