Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.46 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.46 |
| ▸ | PRKACA | P17612 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.46 |
| ▸ | AKT1 | P31749 | 2/20 | 0.46 |
| ▸ | AKT2 | P31751 | 2/20 | 0.46 |
| ▸ | CLK2 | P49760 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.46 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.46 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.46 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4905587 | 0.91 | ROCK1 (0.48) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL4598401 | 0.90 | KDR (0.47) | NAMPTAURKBKDRRPS6KB1QPCT | |
| SCHEMBL4598825 | 0.89 | QPCT (0.47) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL14066719 | 0.89 | IP6K1 (0.55) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL4597328 | 0.87 | AURKB (0.47) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL4598622 | 0.85 | QPCT (0.50) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL4598175 | 0.84 | MAPK1 (0.47) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL4905319 | 0.83 | QPCT (0.46) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL4907508 | 0.83 | QPCT (0.46) | NAMPTAURKBKDRCHEK1DAPK3 | |
| SCHEMBL4898767 | 0.83 | RPS6KB1 (0.40) | NAMPTAURKBKDRCHEK1DAPK3 |
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 | disclosed |
| WO-2007014608-A1 | QUADRATIC ACID II DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-08 | — | — | WO | disclosed |