Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | MERTK | Q12866 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | PRKDC | P78527 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | HCK | P08631 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447803 | 1.00 | PARP1 (0.41) | PARP1PIM1PIM3PIM2OPRM1 | |
| SCHEMBL28390005 | 1.00 | PARP1 (0.41) | PARP1PIM1PIM3PIM2OPRM1 | |
| SCHEMBL28391922 | 0.88 | PARP1 (0.35) | PARP1PIM1PIM3PIM2OPRM1 | |
| SCHEMBL17447888 | 0.88 | PARP1 (0.35) | PARP1PIM1PIM3PIM2OPRM1 | |
| SCHEMBL28393905 | 0.84 | MTNR1A (0.39) | PARP1PIM1PIM3PIM2MERTK | |
| SCHEMBL17447917 | 0.84 | MTNR1A (0.39) | PARP1PIM1PIM3PIM2MERTK | |
| SCHEMBL17447957 | 0.84 | PIK3CD (0.30) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447790 | 0.84 | PIK3CD (0.30) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL28395226 | 0.83 | CHRNA7 (0.31) | CHRNA7 | |
| SCHEMBL17447936 | 0.83 | CHRNA7 (0.31) | CHRNA7 |
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 |