Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 6/20 | 0.38 |
| ▸ | AURKA | O14965 | 5/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5499947 | 0.74 | KCNA5 (0.41) | KCNA5AURKARPS6KB1KCNH2KDM4E | |
| SCHEMBL1382415 | 0.70 | KCNA5 (0.41) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1384577 | 0.69 | KCNA5 (0.59) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1385290 | 0.69 | KCNA5 (0.40) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL5503777 | 0.67 | KCNA5 (0.45) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1382414 | 0.65 | KCNA5 (0.61) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL3121741 | 0.64 | KCNA5 (0.55) | KCNA5KCNH2EGLN2EGLN1 | |
| Monoethanolamine SCHEMBL5507362 | 0.63 | KCNA5 (0.57) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL3121513 | 0.63 | KCNA5 (0.60) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1385287 | 0.63 | KCNA5 (0.60) | KCNA5KCNH2KDM4EALDH1A1NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1667979-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1667979-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005030130-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | WO | disclosed |