Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL21011621 | 0.83 | CSNK1A1 (0.41) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL16668748 | 0.80 | CSNK1A1 (0.45) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL11486802 | 0.78 | PIK3CD (0.42) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL18031200 | 0.75 | NOS3 (0.56) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL1815383 | 0.75 | XDH (0.40) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL23908930 | 0.75 | XDH (0.39) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL30868505 | 0.75 | HTT (0.46) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL338485 | 0.75 | HTT (0.46) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL1457800 | 0.74 | CSNK1A1 (0.44) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 | |
| SCHEMBL30971228 | 0.74 | CSNK1A1 (0.44) | CSNK1A1CLK4PIK3CAPIK3CDNOS3 |
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-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |