Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 8/20 | 0.58 |
| ▸ | CLK1 | P49759 | 7/20 | 0.56 |
| ▸ | CLK2 | P49760 | 7/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.56 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.56 |
| ▸ | CDK4 | P11802 | 2/20 | 0.56 |
| ▸ | CCND3 | P30281 | 2/20 | 0.56 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.56 |
| ▸ | CDK2 | P24941 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | PRKCA | P17252 | 1/20 | 0.56 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.56 |
| ▸ | CCND1 | P24385 | 1/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | CDK7 | P50613 | 1/20 | 0.56 |
| ▸ | CDK9 | P50750 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3445467 | 0.90 | CDK1 (0.58) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3445011 | 0.90 | CDK1 (0.58) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3444766 | 0.89 | CLK1 (0.73) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3445723 | 0.87 | CDK1 (0.53) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3444460 | 0.87 | CDK1 (0.61) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3446203 | 0.85 | CLK1 (0.64) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3444809 | 0.85 | CLK1 (0.55) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3446001 | 0.85 | CLK1 (0.55) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3446452 | 0.84 | CLK1 (0.56) | CDK1CLK1CLK2CLK4CCNB1 | |
| SCHEMBL3445623 | 0.84 | PDGFRA (0.62) | CDK1CCNE1CDK2PRKCA |
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-7816350-B2 | Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2010-10-19 | — | — | US | claimed |