Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 10/20 | 0.62 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.62 |
| ▸ | CDK2 | P24941 | 8/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.57 |
| ▸ | CDK7 | P50613 | 3/20 | 0.52 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.52 |
| ▸ | CLK1 | P49759 | 2/20 | 0.52 |
| ▸ | CLK2 | P49760 | 2/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.51 |
| ▸ | CDK9 | P50750 | 1/20 | 0.51 |
| ▸ | CCNH | P51946 | 1/20 | 0.51 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.49 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15940975 | 0.92 | CDK1 (0.62) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15940954 | 0.92 | CDK1 (0.64) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL28037850 | 0.91 | CDK1 (0.63) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL28037875 | 0.91 | CDK1 (0.63) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL28038208 | 0.90 | CDK1 (0.64) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL17352651 | 0.89 | CDK1 (0.64) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15940740 | 0.89 | CDK1 (0.64) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15941217 | 0.88 | CDK1 (0.58) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15941414 | 0.84 | CDK1 (0.62) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15941040 | 0.84 | CDK1 (0.62) | CDK1CCNE1CDK2CDK5CDK7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105026396-A | 2-substituted-6-biarylmethylamino-9-cyclopentyl-9h-purine derivatives, use thereof as medicaments, and pharmaceutical compositions | UNIV PALACKEHO | 2015-11-04 | — | — | CN | disclosed |