Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16199019 | 0.85 | GSK3A (0.38) | NPC1RAB9AGSK3AGSK3BJAK2 | |
| SCHEMBL16199049 | 0.84 | AURKA (0.35) | AURKAAURKBHTR3AGSK3AGSK3B | |
| SCHEMBL16199071 | 0.76 | CCNT1 (0.38) | — | |
| SCHEMBL16199112 | 0.76 | CCNT1 (0.38) | — | |
| SCHEMBL15401046 | 0.76 | GSK3A (0.38) | GSK3AGSK3BFLT3CDK7GRM5 | |
| SCHEMBL9977700 | 0.76 | GSK3A (0.38) | GSK3AGSK3BFLT3CDK7GRM5 | |
| SCHEMBL16199078 | 0.76 | GSK3A (0.38) | GSK3AGSK3BFLT3CDK7GRM5 | |
| SCHEMBL16199048 | 0.76 | CCNT1 (0.38) | — | |
| SCHEMBL16199102 | 0.74 | — | — | |
| SCHEMBL16199047 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8871774-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-28 | — | — | US | disclosed |