Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 16/20 | 0.66 |
| ▸ | CCNE1 | P24864 | 12/20 | 0.66 |
| ▸ | CDK2 | P24941 | 12/20 | 0.66 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.56 |
| ▸ | CDK7 | P50613 | 2/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.56 |
| ▸ | CDK9 | P50750 | 1/20 | 0.56 |
| ▸ | CCNH | P51946 | 1/20 | 0.56 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.56 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.56 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | CLK2 | P49760 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15941061 | 0.91 | CDK1 (0.65) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15941215 | 0.91 | CDK1 (0.63) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15942142 | 0.91 | CDK1 (0.66) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15942312 | 0.91 | CDK1 (0.66) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL17352589 | 0.90 | CDK1 (0.65) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15940696 | 0.89 | CDK1 (0.68) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15942090 | 0.88 | FLT3 (0.54) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15940651 | 0.87 | CDK1 (0.59) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15940759 | 0.85 | CDK1 (0.66) | CDK1CCNE1CDK2CDK5CDK7 | |
| SCHEMBL15940743 | 0.84 | CDK1 (0.68) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2953951-A2 | 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS | Univerzita palackeho V Olomouci (CZ) | 2015-12-16 | — | — | EP | disclosed |
| WO-2014121764-A2 | 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2014-08-14 | — | — | WO | disclosed |