Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.72 |
| ▸ | CDK9 | P50750 | 4/20 | 0.72 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.72 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.72 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.72 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.72 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.72 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13952910 | 0.87 | CDK9 (0.56) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| SCHEMBL13175508 | 0.87 | CDK9 (0.68) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| SCHEMBL13175163 | 0.86 | CDK9 (0.71) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| SCHEMBL13952905 | 0.85 | CDK9 (0.54) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| SCHEMBL13952912 | 0.85 | CDK9 (0.63) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| SCHEMBL13175363 | 0.84 | CDK9 (0.68) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| Variolin B SCHEMBL13175404 | 0.84 | CDK2 (0.68) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| Variolin B SCHEMBL29353680 | 0.84 | CDK2 (0.68) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| SCHEMBL13202876 | 0.84 | CDK9 (1.00) | CDK2CDK9CDK5CDK5R1CCNT1 | |
| SCHEMBL13220580 | 0.79 | CDK9 (0.74) | CDK2CDK9CDK5CDK5R1CCNT1 |
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-7495000-B2 | Variolin derivatives and their use as antitumor agents | PHARMA MAR, S.A. (ES) | 2009-02-24 | — | — | US | disclosed |