Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 7/20 | 0.42 |
| ▸ | CDK1 | P06493 | 4/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3446276 | 0.91 | CDK2 (0.40) | CDK2CDK1CCNE1CCNE2TDP1 | |
| SCHEMBL3444653 | 0.89 | CDK2 (0.41) | CDK2CDK1CCNE1CCNE2TDP1 | |
| SCHEMBL3446389 | 0.88 | CDK2 (0.43) | CDK2CDK1CCNE1CCNE2CDK9 | |
| SCHEMBL3444670 | 0.88 | CDK2 (0.40) | CDK2CDK1CCNE1CCNE2TDP1 | |
| SCHEMBL3446165 | 0.84 | CDK1 (0.48) | CDK2CDK1CCNE1CCNE2CDK5 | |
| SCHEMBL3446158 | 0.84 | CDK1 (0.48) | CDK2CDK1CCNE1CCNE2CDK5 | |
| SCHEMBL3445168 | 0.83 | CDK1 (0.49) | CDK2CDK1CCNE1CCNE2CDK9 | |
| SCHEMBL3445754 | 0.83 | CDK2 (0.41) | CDK2CDK1CCNE1CCNE2TDP1 | |
| SCHEMBL3444193 | 0.81 | CCNE1 (0.49) | CDK2CCNE1CCNE2CDK9CDK5 | |
| SCHEMBL3444461 | 0.81 | BCDIN3D (0.39) | CDK2CCNE1CCNE2TDP1CDK9 |
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 |