Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 4/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.46 |
| ▸ | CDK2 | P24941 | 4/20 | 0.46 |
| ▸ | CDK9 | P50750 | 4/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 6/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | CHUK | O15111 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16361467 | 0.87 | CDK2 (0.38) | CCNT1CCNA2CDK2CDK9CLK1 | |
| SCHEMBL15722335 | 0.86 | CDK2 (0.37) | CCNT1CCNA2CDK2CDK9CLK1 | |
| SCHEMBL14147359 | 0.84 | CCNT1 (0.50) | CCNT1CCNA2CDK2CDK9CDK5 | |
| SCHEMBL15722285 | 0.84 | CCNK (0.37) | CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL11989644 | 0.84 | HSP90AB1 (0.43) | CCNT1CCNA2CDK2CDK9CDK5 | |
| SCHEMBL27795425 | 0.84 | CDK2 (0.36) | CCNT1CCNA2CDK2CDK9CDK5 | |
| SCHEMBL14238585 | 0.84 | CDK2 (0.37) | CCNT1CCNA2CDK2CDK9CLK1 | |
| SCHEMBL11989908 | 0.84 | HSP90AB1 (0.41) | CCNT1CCNA2CDK2CDK9CLK1 | |
| SCHEMBL11989645 | 0.83 | CDK7 (0.38) | CCNT1CCNA2CDK2CDK9CDK5 | |
| SCHEMBL9967446 | 0.82 | MAP3K14 (0.48) | CCNT1CCNA2CDK2CDK9CDK5 |
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-2012083122-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |