Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31226557 | 0.74 | CDK2 (0.43) | CDK2GRM4HSP90AA1NOS3NOS1 | |
| SCHEMBL31226663 | 0.74 | CDK2 (0.43) | CDK2GRM4HSP90AA1NOS3NOS1 | |
| SCHEMBL31226309 | 0.74 | CDK2 (0.43) | CDK2GRM4HSP90AA1NOS3NOS1 | |
| SCHEMBL1604498 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL31108166 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL31108165 | 0.70 | — | — | |
| SCHEMBL22426961 | 0.70 | CDK2 (0.39) | CDK2GRM4NOS3NOS1NOS2 | |
| SCHEMBL24796831 | 0.69 | CDK2 (0.38) | CDK2 | |
| SCHEMBL20692815 | 0.69 | CDK2 (0.42) | CDK2 | |
| SCHEMBL24016972 | 0.69 | CDK2 (0.38) | CDK2NOS3NOS1NOS2 |
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 | disclosed |
| WO-2008051493-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |