Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 13/20 | 0.50 |
| ▸ | GSK3B | P49841 | 13/20 | 0.50 |
| ▸ | FLT3 | P36888 | 11/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 11/20 | 0.50 |
| ▸ | JAK2 | O60674 | 7/20 | 0.50 |
| ▸ | SRC | P12931 | 6/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.50 |
| ▸ | PLK1 | P53350 | 6/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.50 |
| ▸ | PRKACA | P17612 | 5/20 | 0.50 |
| ▸ | KDR | P35968 | 4/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9967140 | 0.76 | GSK3A (0.73) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9967139 | 0.76 | GSK3A (0.73) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9941759 | 0.74 | CDK2 (0.42) | GSK3AGSK3BFLT3PIK3CGJAK2 | |
| SCHEMBL9967249 | 0.74 | GSK3A (0.45) | GSK3AGSK3BFLT3PIK3CGJAK2 | |
| SCHEMBL9967235 | 0.72 | CDK2 (0.42) | GSK3AGSK3BFLT3PIK3CGJAK2 | |
| SCHEMBL9941971 | 0.71 | GSK3A (0.63) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9967241 | 0.70 | GSK3A (0.59) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9967076 | 0.70 | GSK3A (0.59) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9941874 | 0.70 | GSK3A (0.69) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9967524 | 0.70 | GSK3A (0.69) | GSK3AGSK3BFLT3JAK2SRC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083122-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |