Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 15/20 | 0.77 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27760323 | 0.87 | CASP3 (0.82) | CASP3BCHEACHEMAPT | |
| SCHEMBL27781877 | 0.87 | CASP3 (1.00) | CASP3ACHE | |
| SCHEMBL27760312 | 0.85 | CASP3 (1.00) | CASP3MAPTDHODHNPSR1 | |
| SCHEMBL27781878 | 0.82 | CASP3 (0.78) | CASP3 | |
| SCHEMBL5442259 | 0.73 | KDR (0.59) | CASP3MAPTDHODHNPSR1 | |
| SCHEMBL3899794 | 0.72 | DHODH (0.48) | CASP3BCHEACHEMAPTDHODH | |
| SCHEMBL27760311 | 0.72 | CASP3 (0.77) | CASP3MAPT | |
| SCHEMBL27781860 | 0.71 | CASP3 (1.00) | CASP3 | |
| SCHEMBL27814058 | 0.70 | CASP3 (1.00) | CASP3 | |
| SCHEMBL14985032 | 0.69 | BCHE (0.52) | BCHEACHEMAPTDHODHNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108653279-A | The pyrrolin analog derivative of application and a kind of resisiting influenza virus of the pyrrolin analog derivative on preparing influenza virus inhibitor | 南方医科大学 | 2018-10-16 | — | — | CN | disclosed |