Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 2/20 | 0.56 |
| ▸ | BRD4 | O60885 | 2/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 4/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.50 |
| ▸ | JAK3 | P52333 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 2/20 | 0.49 |
| ▸ | CCNK | O75909 | 1/20 | 0.48 |
| ▸ | CCND3 | P30281 | 1/20 | 0.48 |
| ▸ | CDK9 | P50750 | 1/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30378928 | 1.00 | SLC2A1 (0.56) | SLC2A1BRD4EGFRALKHTR6 | |
| SCHEMBL21600787 | 0.85 | SLC2A1 (0.60) | SLC2A1BRD4EGFRALKHTR6 | |
| SCHEMBL28540649 | 0.82 | SLC2A1 (0.66) | SLC2A1BRD4EGFRALKJAK3 | |
| SCHEMBL30378896 | 0.82 | SLC2A1 (0.66) | SLC2A1BRD4EGFRALKJAK3 | |
| SCHEMBL21596307 | 0.81 | JAK3 (0.64) | SLC2A1EGFRJAK3MAPK1 | |
| SCHEMBL21596344 | 0.81 | GSK3B (0.54) | JAK3MAPTPLK1CDK9MAPK1 | |
| SCHEMBL30380004 | 0.81 | GSK3B (0.54) | JAK3MAPTPLK1CDK9MAPK1 | |
| SCHEMBL1845227 | 0.80 | MAPT (0.70) | HTR6SIRT6MAPTMAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL1845124 | 0.79 | MAPT (0.69) | HTR6SIRT6MAPTMAPK1L3MBTL1 | |
| SCHEMBL14001924 | 0.79 | EGFR (0.72) | BRD4EGFRALKMAPTPLK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112313207-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-112313207-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-02-02 | — | — | CN | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |