Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.56 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.56 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.56 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.56 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.54 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.54 |
| ▸ | LTK | P29376 | 1/20 | 0.53 |
| ▸ | MST1R | Q04912 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 8/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29871952 | 0.87 | CDK5 (0.61) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL1078443 | 0.87 | CDK5 (0.61) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL30775381 | 0.82 | CLK4 (0.49) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL1334382 | 0.81 | KDR (0.54) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL30543362 | 0.79 | KDR (0.49) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL30775229 | 0.79 | PARP1 (0.57) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL30775244 | 0.79 | PARP10 (0.57) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL30775289 | 0.78 | KDR (0.54) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL30775251 | 0.78 | CLK4 (0.51) | CLK4CDK5DYRK1AROCK1PIM1 | |
| SCHEMBL30331758 | 0.78 | PARP10 (0.69) | CLK4CDK5DYRK1AROCK1PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108368053-A | Substituted benzazepine derivatives as antibacterial compounds | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-08-03 | — | — | CN | disclosed |