Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL17443382 | 0.87 | SIRT2 (0.43) | SIRT2SIRT1NISCHNPC1RAB9A | |
| SCHEMBL17447810 | 0.84 | HDAC1 (0.35) | SIRT1HDAC1 | |
| SCHEMBL17447927 | 0.83 | LMNA (0.36) | SIRT2SIRT1RIPK1 | |
| SCHEMBL17447783 | 0.76 | BTK (0.36) | SIRT1 | |
| SCHEMBL28393935 | 0.75 | BTK (0.42) | — | |
| SCHEMBL17447820 | 0.75 | BTK (0.42) | — | |
| SCHEMBL17447918 | 0.72 | NISCH (0.39) | NISCH | |
| SCHEMBL28395573 | 0.72 | NISCH (0.39) | NISCH | |
| SCHEMBL17447916 | 0.71 | NISCH (0.46) | HDAC1NISCHROCK2HDAC2ADORA2A | |
| SCHEMBL17448035 | 0.70 | RAB9A (0.39) | SIRT2SIRT1TP53RAB9A |
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 |