Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | PRKACG | P22612 | 1/20 | 0.31 |
| ▸ | PRKACB | P22694 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28400077 | 0.91 | CTSD (0.35) | CTSDPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL17447896 | 0.84 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447898 | 0.84 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447903 | 0.74 | ADORA2A (0.36) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17448043 | 0.74 | NISCH (0.35) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL28391913 | 0.74 | ADORA2A (0.36) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL31278318 | 0.71 | PRKACA (0.46) | GAACDK5DYRK1ACDK5R1KDM4E | |
| SCHEMBL17447930 | 0.71 | NISCH (0.44) | CDK5DYRK1ACDK5R1PRKACAPRKACG | |
| SCHEMBL20564864 | 0.69 | ALDH1A1 (0.37) | GAACDK5DYRK1ACDK5R1KDM4E | |
| SCHEMBL17447901 | 0.69 | MAPKAPK2 (0.37) | GAACDK5DYRK1ACDK5R1PRKACA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |