Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 9/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 3/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382415 | 0.87 | KCNA5 (0.41) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1385290 | 0.86 | KCNA5 (0.40) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL5502122 | 0.76 | KCNA5 (0.37) | KCNA5KCNH2KDM4EALDH1A1FGFR1 | |
| SCHEMBL1384577 | 0.73 | KCNA5 (0.59) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1385759 | 0.70 | KDM4E (0.41) | KCNA5KCNH2KDM4EALDH1A1TSHR | |
| SCHEMBL3123340 | 0.70 | KCNA5 (0.81) | KCNA5KCNH2KDM4EALDH1A1TSHR | |
| SCHEMBL1381798 | 0.70 | KCNA5 (0.81) | KCNA5KCNH2KDM4EALDH1A1TSHR | |
| SCHEMBL1385545 | 0.70 | KCNA5 (0.81) | KCNA5KCNH2KDM4EALDH1A1TSHR | |
| SCHEMBL1381503 | 0.70 | KCNA5 (0.36) | KCNA5KCNH2PTGDR2 | |
| SCHEMBL5500058 | 0.69 | ACP1 (0.37) | KCNA5KCNH2KDM4EALDH1A1HPGDS |
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 |