Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 5/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.39 |
| ▸ | CHUK | O15111 | 3/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15722386 | 0.85 | ADORA2A (0.43) | MAP3K14CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL9967129 | 0.82 | CCNT1 (0.46) | CCNT1CCNA2CDK2CDK9ADORA2A | |
| SCHEMBL9967225 | 0.82 | KHK (0.46) | MAP3K14JAK2CCNT1CCNA2CDK2 | |
| SCHEMBL1613323 | 0.75 | CLK1 (0.69) | MAP3K14ADORA2AADORA1CLK1CDK5 | |
| SCHEMBL11989895 | 0.74 | CDK1 (0.39) | JAK2CDK2CYP3A4CDK5CDK5R1 | |
| SCHEMBL14712228 | 0.73 | JAK2 (0.52) | MAP3K14JAK2CCNT1CCNA2CDK2 | |
| SCHEMBL28674867 | 0.71 | PDPK1 (0.52) | MAP3K14JAK2CCNT1CCNA2CDK2 | |
| SCHEMBL30301157 | 0.71 | PDPK1 (0.52) | MAP3K14JAK2CCNT1CCNA2CDK2 | |
| SCHEMBL14147113 | 0.71 | HSP90AB1 (0.37) | JAK2CDK2MAP3K11CLK1CDK5 | |
| SCHEMBL8941597 | 0.70 | JAK2 (0.68) | JAK2CDK2MAP3K11CLK1CDK5 |
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 |