Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 5/20 | 0.45 |
| ▸ | GSK3B | P49841 | 5/20 | 0.45 |
| ▸ | FLT3 | P36888 | 5/20 | 0.44 |
| ▸ | JAK2 | O60674 | 3/20 | 0.44 |
| ▸ | SRC | P12931 | 3/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CCNK | O75909 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10304245 | 0.88 | GSK3A (0.59) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL10304231 | 0.83 | GSK3A (0.51) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9967246 | 0.83 | CDK7 (0.43) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL9967094 | 0.82 | GSK3A (0.40) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL2130555 | 0.81 | — | — | |
| SCHEMBL10304559 | 0.81 | GSK3A (0.57) | GSK3AGSK3BFLT3JAK2SRC | |
| SCHEMBL2130051 | 0.81 | — | — | |
| SCHEMBL2130033 | 0.81 | — | — | |
| SCHEMBL2130038 | 0.81 | — | — | |
| SCHEMBL2130565 | 0.81 | — | — |
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 |