Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 3/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL28533099 | 0.91 | MAPK10 (0.45) | MAPK10CTSLCTSSCTSKCHEK1 | |
| SCHEMBL30379338 | 0.90 | SLC2A1 (0.46) | MAPK10PIK3CACTSLCTSSCTSK | |
| SCHEMBL28909341 | 0.90 | SLC2A1 (0.46) | MAPK10PIK3CACTSLCTSSCTSK | |
| SCHEMBL21596387 | 0.90 | MAPK10 (0.46) | MAPK10PIK3CACTSLCTSSCTSK | |
| SCHEMBL30380081 | 0.90 | MAPK10 (0.46) | MAPK10PIK3CACTSLCTSSCTSK | |
| SCHEMBL21596364 | 0.85 | CTSC (0.47) | PIK3CACTSLJAK3FGFR1 | |
| SCHEMBL30380067 | 0.85 | CTSC (0.47) | PIK3CACTSLJAK3FGFR1 | |
| SCHEMBL21600833 | 0.84 | MAPK10 (0.42) | MAPK10PIK3CACTSLCTSSCTSK | |
| SCHEMBL21600958 | 0.82 | JAK3 (0.49) | CTSLJAK3FGFR1 | |
| SCHEMBL28533599 | 0.82 | JAK2 (0.44) | MAPK10CHEK1CHEK2JAK2JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |