Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 8/20 | 0.52 |
| ▸ | HCRTR2 | O43614 | 7/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.43 |
| ▸ | CDK2 | P24941 | 6/20 | 0.43 |
| ▸ | CDK7 | P50613 | 6/20 | 0.43 |
| ▸ | CCNH | P51946 | 6/20 | 0.43 |
| ▸ | MNAT1 | P51948 | 6/20 | 0.43 |
| ▸ | CCNK | O75909 | 5/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 5/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.43 |
| ▸ | JAK3 | P52333 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4243140 | 0.97 | HCRTR1 (0.48) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL4243127 | 0.97 | HCRTR1 (0.48) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL4249808 | 0.96 | HCRTR1 (0.48) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL4249801 | 0.96 | HCRTR1 (0.48) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL4244142 | 0.92 | HCRTR2 (0.60) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL3654286 | 0.92 | HCRTR2 (0.60) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL4239319 | 0.88 | HCRTR1 (0.48) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL3656702 | 0.88 | HCRTR1 (0.48) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL3659905 | 0.87 | KDM4E (0.51) | HCRTR1HCRTR2CCNA2CDK2CDK7 | |
| SCHEMBL8226172 | 0.85 | PDGFRB (0.48) | HCRTR1HCRTR2PDGFRBPDGFRAJAK3 |
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-2234999-A1 | HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | claimed |
| WO-2009080533-A1 | HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | claimed |