Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 8/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | WEE1 | P30291 | 4/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10050790 | 0.80 | PDGFRB (0.36) | CHEK1ROCK2 | |
| SCHEMBL8498825 | 0.72 | CHEK1 (0.79) | CHEK1CDK5CDK5R1ROCK2PRKCA | |
| SCHEMBL16504230 | 0.71 | CDK4 (0.60) | CHEK1ROCK2PRKCA | |
| SCHEMBL6086984 | 0.68 | CHEK1 (0.48) | CHEK1CDK5CDK5R1ROCK2SRC | |
| SCHEMBL10075909 | 0.66 | CHEK1 (0.37) | CHEK1CDK5CDK5R1ROCK2GSK3A | |
| SCHEMBL13609800 | 0.65 | CDK4 (0.42) | CHEK1CDK5CDK5R1ROCK2 | |
| SCHEMBL27048226 | 0.65 | CHEK1 (0.56) | CHEK1CDK5CDK5R1ROCK2SRC | |
| SCHEMBL8128221 | 0.65 | PDGFRB (0.70) | CHEK1ROCK2GSK3AGSK3BDYRK1A | |
| SCHEMBL8120620 | 0.65 | ROCK2 (1.00) | CHEK1CDK5CDK5R1ROCK2SRC | |
| SCHEMBL5345854 | 0.63 | WEE1 (0.49) | CHEK1WEE1PRKCA |
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 |
|---|---|---|---|---|---|---|---|
| US-8106039-B2 | Metal complex phosphatidyl-inositol-3-kinase inhibitors | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-01-31 | — | — | US | disclosed |