Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 13/20 | 0.56 |
| ▸ | CDK2 | P24941 | 13/20 | 0.56 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | C1S | P09871 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826746 | 0.78 | CDK1 (0.44) | CDK1CDK2CDC7ROCK2MAP4K4 | |
| SCHEMBL6921150 | 0.77 | CDK1 (0.41) | CDK1CDK2CDC7JAK2 | |
| SCHEMBL6826600 | 0.77 | CDK1 (0.53) | CDK1CDK2GSK3B | |
| SCHEMBL6824620 | 0.72 | CDK1 (0.49) | CDK1CDK2GSK3B | |
| SCHEMBL6915719 | 0.71 | DYRK1A (0.49) | CDK1CDK2CDC7GSK3BJAK2 | |
| SCHEMBL6826566 | 0.71 | CYP2D6 (0.46) | CDK1CDK2CDC7JAK2 | |
| SCHEMBL6917094 | 0.71 | CDK2 (0.42) | CDK1CDK2CDC7GSK3BIRAK4 | |
| SCHEMBL6823684 | 0.70 | CDK2 (0.47) | CDK1CDK2CDC7ROCK2MAP4K4 | |
| SCHEMBL6922661 | 0.69 | CDK2 (0.51) | CDK1CDK2CDC7GSK3BJAK2 | |
| SCHEMBL7067140 | 0.69 | CDK2 (0.46) | CDK1CDK2CDC7GSK3B |
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-2004080979-A1 | NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES | LG LIFE SCIENCES LTD. (KR) | 2004-09-23 | — | — | WO | disclosed |