Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 11/20 | 0.43 |
| ▸ | CHUK | O15111 | 8/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1705289 | 1.00 | IKBKB (0.43) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL1705291 | 1.00 | IKBKB (0.43) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL1705220 | 0.90 | IKBKB (0.41) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL1705244 | 0.90 | IKBKB (0.41) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL1705121 | 0.89 | EPHX2 (0.45) | IKBKBCHUKROCK1LCKCYP2C19 | |
| SCHEMBL1705675 | 0.89 | EPHX2 (0.45) | IKBKBCHUKROCK1LCKCYP2C19 | |
| SCHEMBL1705123 | 0.89 | EPHX2 (0.45) | IKBKBCHUKROCK1LCKCYP2C19 | |
| SCHEMBL1704723 | 0.88 | IKBKB (0.47) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL1704725 | 0.88 | IKBKB (0.47) | IKBKBCHUKROCK1LCKROCK2 | |
| SCHEMBL1705547 | 0.86 | IKBKB (0.44) | IKBKBCHUKROCK1LCKROCK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125746-B1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES | SANOFI SA (FR) | 2012-04-18 | — | — | EP | disclosed |