Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447920 | 1.00 | PIK3CD (0.44) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447977 | 0.82 | NISCH (0.37) | GAAGFER | |
| SCHEMBL17447916 | 0.79 | NISCH (0.46) | — | |
| SCHEMBL17447898 | 0.76 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447896 | 0.76 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447925 | 0.69 | PARP1 (0.42) | DYRK1ADYRK1B | |
| SCHEMBL28390762 | 0.69 | PARP1 (0.42) | DYRK1ADYRK1B | |
| SCHEMBL17447940 | 0.69 | RIPK2 (0.40) | PIK3CDPIK3CAPIK3CBPIK3CGMTNR1A | |
| SCHEMBL17447927 | 0.69 | LMNA (0.36) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL30387689 | 0.69 | PIK3CD (0.65) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC |
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-106687446-B | 5-amino-4-carbamoyl-pyrazole compounds as selective and irreversible kinase inhibitors of T790M/WT-EGFR and uses thereof | 百济神州(北京)生物科技有限公司 | 2020-04-28 | — | — | CN | disclosed |
| WO-2016008411-A1 | 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF | BEIGENE, LTD. (KY) | 2016-01-21 | — | — | WO | disclosed |