Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1749409 | 0.87 | ALDH1A1 (0.41) | CDC25BALDH1A1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL1751684 | 0.86 | GSK3A (0.51) | CDC25BALDH1A1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL4228405 | 0.82 | HSD17B10 (0.45) | CDC25BALDH1A1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL654384 | 0.79 | RAB9A (0.52) | SMN1; SMN2NPC1KDM4ERAB9AMAPT | |
| SCHEMBL1749913 | 0.79 | ALDH1A1 (0.44) | CDC25BALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4363788 | 0.78 | KMT2A (0.50) | CDC25BALDH1A1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL1748994 | 0.78 | HSD17B10 (0.48) | AURKANR1I2AHRGSK3AGSK3B | |
| SCHEMBL4223368 | 0.77 | GSK3A (0.51) | CDC25BALDH1A1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL1748903 | 0.77 | GSK3A (0.53) | ALDH1A1SMN1; SMN2AURKANR1I2AHR | |
| SCHEMBL4230926 | 0.76 | CSNK1D (0.46) | CDC25BALDH1A1SMN1; SMN2NPC1KDM4E |
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-2078018-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051494-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |