Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 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 | |
|---|---|---|---|---|
| SCHEMBL4902107 | 0.92 | ROCK1 (0.41) | CDK1CDC7PLK4CHEK1DAPK3 | |
| SCHEMBL4596911 | 0.81 | NAMPT (0.47) | CDK1PLK4CHEK1DAPK3RPS6KA5 | |
| SCHEMBL4898762 | 0.81 | ROCK1 (0.41) | CDK1CDC7PLK4CHEK1DAPK3 | |
| SCHEMBL4898774 | 0.80 | ROCK1 (0.43) | CDK1CDC7PLK4CHEK1DAPK3 | |
| SCHEMBL4598446 | 0.80 | ROCK1 (0.40) | CDK1CDC7PLK4CHEK1DAPK3 | |
| SCHEMBL14066719 | 0.79 | IP6K1 (0.55) | CDK1PLK4CHEK1DAPK3MAP4K4 | |
| SCHEMBL4907489 | 0.76 | ROCK1 (0.39) | CDK1CDC7PLK4CHEK1DAPK3 | |
| SCHEMBL28651280 | 0.76 | QPCT (0.57) | QPCTNAMPTADRA2AADRA2CADRA1D | |
| SCHEMBL4598825 | 0.76 | QPCT (0.47) | CDK1PLK4CHEK1DAPK3MAP4K4 | |
| SCHEMBL4905527 | 0.76 | ROCK1 (0.42) | CDK1CDC7PLK4CHEK1DAPK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910312-A1 | QUADRATIC ACID II DERIVATIVES | Merck Patent GmbH (DE) | 2008-04-16 | — | — | EP | claimed |
| WO-2007014608-A1 | QUADRATIC ACID II DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-08 | — | — | WO | claimed |