Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 19/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 17/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 11/20 | 0.46 |
| ▸ | CDK9 | P50750 | 3/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK7 | P50613 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2175634 | 0.83 | EPHX1 (0.42) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL13315147 | 0.77 | CYP2D6 (0.47) | CDK2CCNE1CDK5 | |
| SCHEMBL12327091 | 0.74 | CCNE1 (0.46) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL13536689 | 0.74 | HCAR2 (0.43) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL2237883 | 0.74 | ADRB2 (0.51) | CDK2CCNE1CDK5 | |
| SCHEMBL16781356 | 0.74 | CXCR4 (0.50) | CDK2CCNE1CDK5 | |
| SCHEMBL12280795 | 0.73 | CYP2D6 (0.44) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL2179770 | 0.73 | CA12 (0.41) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL2177875 | 0.72 | CDK2 (0.40) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL893594 | 0.72 | HCAR2 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |