Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL1384933 | 0.79 | CA1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL3121439 | 0.79 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL3109372 | 0.76 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL29416178 | 0.75 | KCNA5 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL1758790 | 0.75 | KCNA5 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL1385668 | 0.75 | KCNA5 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL1381271 | 0.74 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL27953243 | 0.73 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL14363733 | 0.73 | KCNA5 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 | |
| SCHEMBL1382699 | 0.72 | KCNA5 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNA5 |
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 |