Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.41 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | PAK4 | O96013 | 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 | |
|---|---|---|---|---|
| SCHEMBL340668 | 1.00 | GDA (0.44) | GDAACHEGSK3AGSK3BCDK5 | |
| SCHEMBL30572345 | 1.00 | GDA (0.44) | GDAACHEGSK3AGSK3BCDK5 | |
| Hydrochloric Acid SCHEMBL3957661 | 0.97 | GDA (0.43) | GDAACHEGSK3AGSK3BCDK5 | |
| Trifluoroacetic Acid SCHEMBL3954861 | 0.80 | BRAF (0.33) | GDAACHEGSK3AGSK3BPDE3B | |
| SCHEMBL932546 | 0.80 | KDM4E (0.46) | GDAACHEGSK3AGSK3BCDK5 | |
| SCHEMBL29545868 | 0.80 | KDM4E (0.46) | GDAACHEGSK3AGSK3BCDK5 | |
| Hydrochloric Acid SCHEMBL28868510 | 0.78 | KDM4E (0.44) | GDAACHEGSK3AGSK3BCDK5 | |
| Water SCHEMBL6479622 | 0.78 | KDM4E (0.44) | GDAACHEGSK3AGSK3BCDK5 | |
| Hydrochloric Acid SCHEMBL30431695 | 0.78 | KDM4E (0.44) | GDAACHEGSK3AGSK3BCDK5 | |
| SCHEMBL5438576 | 0.77 | KDM4E (0.40) | GDAACHEGSK3AGSK3BCDK5 |
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-2078016-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | claimed |
| WO-2008051493-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | claimed |