Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 12/20 | 0.66 |
| ▸ | CDK2 | P24941 | 11/20 | 0.66 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CDK9 | P50750 | 3/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.49 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.49 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.49 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.49 |
| ▸ | CLK2 | P49760 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3445042 | 0.89 | CDK2 (0.58) | CDK1CDK2CDK5TDP1KDM4E | |
| SCHEMBL3446716 | 0.88 | CDK2 (0.67) | CDK1CDK2CDK5TDP1KDM4E | |
| SCHEMBL3455226 | 0.87 | CDK2 (0.63) | CDK1CDK2CDK5TDP1KDM4E | |
| SCHEMBL3445068 | 0.85 | FLT3 (0.54) | CDK1CDK2MAPTFLT3 | |
| SCHEMBL3446753 | 0.85 | CDK2 (0.61) | CDK1CDK2CDK5CDK9CCNE1 | |
| SCHEMBL3445601 | 0.83 | CDK2 (0.47) | CDK1CDK2CDK5TDP1KDM4E | |
| SCHEMBL3446263 | 0.83 | CDK1 (0.56) | CDK1CDK2CDK5CDK9CCNE1 | |
| SCHEMBL3446266 | 0.83 | CDK1 (0.56) | CDK1CDK2CDK5CDK9CCNE1 | |
| SCHEMBL3445297 | 0.82 | BCDIN3D (0.46) | CDK1CDK2CDK9CCNE1 | |
| SCHEMBL3445433 | 0.80 | POLB (0.47) | CDK1CDK2CDK5MAPTCDK9 |
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 |