Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 16/20 | 0.59 |
| ▸ | MTOR | P42345 | 8/20 | 0.59 |
| ▸ | SMG1 | Q96Q15 | 7/20 | 0.59 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 11/20 | 0.52 |
| ▸ | CDK9 | P50750 | 9/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 9/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 8/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.51 |
| ▸ | CDK7 | P50613 | 5/20 | 0.51 |
| ▸ | CCNH | P51946 | 5/20 | 0.51 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.51 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL3623836 | 0.77 | CDK1 (0.55) | CDK1MTORSMG1SLC2A1CDK2 | |
| SCHEMBL3132734 | 0.74 | IKBKB (0.49) | CDK1CDK2CDK9CCNB1CCNT1 | |
| SCHEMBL6752979 | 0.74 | CAMK2D (0.67) | CDK1MTORSMG1SLC2A1CDK2 | |
| SCHEMBL7524252 | 0.74 | CDK1 (0.69) | CDK1MTORSMG1SLC2A1CDK2 | |
| SCHEMBL2988085 | 0.73 | CDK5 (0.67) | CDK1CDK2CDK9CCNB1CCNT1 | |
| SCHEMBL3518683 | 0.73 | IKBKB (0.66) | CDK1MTORSMG1SLC2A1CDK2 | |
| SCHEMBL7471938 | 0.73 | ABL1 (0.70) | CDK1MTORSMG1SLC2A1CDK2 | |
| SCHEMBL3607096 | 0.72 | CDK9 (0.62) | CDK1MTORSMG1SLC2A1CDK2 | |
| SCHEMBL3520990 | 0.72 | CDK1 (0.66) | CDK1MTORSMG1SLC2A1CDK2 | |
| SCHEMBL3623043 | 0.72 | KDR (0.63) | CDK1MTORSMG1SLC2A1CDK2 |
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-2010051781-A1 | KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS | SHANGHAI GENOMICS, INC. (CN) | 2010-05-14 | — | — | WO | disclosed |