Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | CCNK | O75909 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 9/20 | 0.41 |
| ▸ | GSK3B | P49841 | 9/20 | 0.41 |
| ▸ | FLT3 | P36888 | 9/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 7/20 | 0.40 |
| ▸ | SRC | P12931 | 6/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.40 |
| ▸ | JAK2 | O60674 | 5/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.40 |
| ▸ | PRKACA | P17612 | 4/20 | 0.40 |
| ▸ | PLK1 | P53350 | 4/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9967235 | 0.86 | CDK2 (0.42) | CDK2CCNT1CDK9CCNKCCNE1 | |
| SCHEMBL22963813 | 0.77 | GSK3A (0.41) | CDK2CCNT1CDK9CCNKCCNE1 | |
| SCHEMBL24059791 | 0.74 | GSK3A (0.48) | CDK2GSK3AGSK3BFLT3PIK3CG | |
| SCHEMBL19928487 | 0.74 | GSK3A (0.53) | CDK2GSK3AGSK3BFLT3PIK3CG | |
| SCHEMBL9967141 | 0.74 | GSK3A (0.50) | CDK2GSK3AGSK3BFLT3PIK3CG | |
| SCHEMBL22963816 | 0.74 | GSK3A (0.39) | CDK2CCNT1CDK9CCNKCCNE1 | |
| SCHEMBL24840735 | 0.73 | CDK2 (0.57) | CDK2CCNT1CDK9CCNKCCNE1 | |
| SCHEMBL9967203 | 0.72 | GSK3A (0.43) | CDK2CCNT1CDK9GSK3AGSK3B | |
| SCHEMBL9967204 | 0.72 | CDK2 (0.51) | CDK2CCNT1CDK9CCNKCCNE1 | |
| SCHEMBL10304030 | 0.71 | GSK3A (0.53) | CDK2GSK3AGSK3BFLT3PIK3CG |
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-2651938-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Incorporated (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083122-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |