Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | LIPG | Q9Y5X9 | 6/20 | 0.41 |
| ▸ | LPL | P06858 | 5/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 3/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16492544 | 0.89 | ROCK1 (0.47) | ROCK1LIPGLPLP4HBF11 | |
| SCHEMBL588250 | 0.89 | ROCK1 (0.50) | ROCK1LIPGLPLP4HBF11 | |
| SCHEMBL21341782 | 0.82 | ROCK1 (0.51) | ROCK1LIPGLPLP4HBF11 | |
| SCHEMBL20612060 | 0.82 | ROCK1 (0.48) | ROCK1BACE1HIF1ADPP4PITRM1 | |
| SCHEMBL2589826 | 0.82 | ROCK1 (0.48) | ROCK1BACE1 | |
| SCHEMBL20617798 | 0.82 | ROCK1 (0.56) | ROCK1LIPGLPLP4HBF11 | |
| SCHEMBL3780245 | 0.81 | NOTUM (0.51) | ROCK1CA1CA2CA9BACE1 | |
| SCHEMBL4312462 | 0.81 | NOTUM (0.51) | ROCK1CA1CA2CA9BACE1 | |
| SCHEMBL23725998 | 0.81 | ROCK1 (0.45) | ROCK1LIPGLPLP4HBF11 | |
| SCHEMBL3806238 | 0.81 | ROCK1 (0.45) | ROCK1F11F2PRSS1PRSS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3204382-A1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057500-A1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-04-14 | — | — | WO | disclosed |
| EP-2125778-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | Millennium Pharmaceuticals, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079277-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |