Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 16/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 15/20 | 0.52 |
| ▸ | CDK5R1 | Q15078 | 15/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 15/20 | 0.52 |
| ▸ | CCNA1 | P78396 | 14/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 13/20 | 0.52 |
| ▸ | CDK1 | P06493 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3446707 | 0.90 | CDK5 (0.52) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3446493 | 0.89 | CDK2 (0.53) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3444438 | 0.89 | CDK5 (0.51) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3446427 | 0.88 | CDK5 (0.55) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3445657 | 0.86 | CDK1 (0.68) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3445655 | 0.86 | CDK1 (0.68) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3445806 | 0.82 | CDK5 (0.50) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3445600 | 0.82 | CDK5 (0.50) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3446331 | 0.82 | CDK5 (0.68) | CDK2CDK5CDK5R1CCNA2CCNA1 | |
| SCHEMBL3445379 | 0.81 | CDK1 (0.57) | CDK2CDK5CDK5R1CCNA2CCNA1 |
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 |