Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 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 | |
|---|---|---|---|---|
| SCHEMBL674120 | 0.82 | MAP4K1 (0.35) | KCNH2ADORA2BGSK3BADORA2AADORA1 | |
| SCHEMBL672462 | 0.81 | GSK3B (0.36) | KCNH2GSK3BROCK1CDC42BPBFLT3 | |
| SCHEMBL12468151 | 0.79 | KCNH2 (0.34) | KCNH2ADORA2BGSK3BROCK1CDC42BPB | |
| SCHEMBL674039 | 0.76 | FLT3 (0.35) | KCNH2ADORA2BGSK3BROCK1CDC42BPB | |
| SCHEMBL672451 | 0.75 | PRKCI (0.35) | KCNH2GSK3BROCK1CDC42BPBPRKCI | |
| SCHEMBL12468308 | 0.73 | GSK3B (0.33) | KCNH2ADORA2BGSK3BROCK1CDC42BPB | |
| SCHEMBL672495 | 0.73 | GSK3B (0.38) | KCNH2GSK3BFLT3 | |
| SCHEMBL672939 | 0.73 | ROCK1 (0.30) | ROCK1CDC42BPB | |
| SCHEMBL20577255 | 0.72 | HTR3A (0.41) | KCNH2ROCK1CDC42BPB | |
| SCHEMBL20577257 | 0.72 | HTR3A (0.41) | KCNH2ROCK1CDC42BPB |
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-2012022045-A1 | PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2012-02-23 | — | — | WO | disclosed |