Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.86 |
| ▸ | MEN1 | O00255 | 1/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.86 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.86 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.86 |
| ▸ | NGLY1 | Q96IV0 | 1/20 | 0.86 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.86 |
| ▸ | GBA1 | P04062 | 1/20 | 0.86 |
| ▸ | GANAB | Q14697 | 1/20 | 0.86 |
| ▸ | MAN2B1 | O00754 | 1/20 | 0.75 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9766886 | 1.00 | GAA (0.86) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8261888 | 1.00 | GAA (0.86) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8261878 | 1.00 | GAA (0.86) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9766891 | 1.00 | GAA (0.86) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| Castanospermine SCHEMBL23689596 | 0.93 | GAA (1.00) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| Castanospermine SCHEMBL764545 | 0.93 | GAA (1.00) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| Castanospermine SCHEMBL13666292 | 0.93 | GAA (1.00) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| Castanospermine SCHEMBL4645261 | 0.93 | GAA (1.00) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| Castanospermine SCHEMBL10471084 | 0.93 | GAA (1.00) | GAAMEN1CYP1A2CYP2C9CYP2C19 | |
| Castanospermine SCHEMBL23845877 | 0.93 | GAA (1.00) | GAAMEN1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2323651-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | Summit Corporation Plc (GB) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010015815-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | SUMMIT CORPORATION PLC (GB) | 2010-02-11 | — | — | WO | disclosed |