Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 14/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.39 |
| ▸ | TPX2 | Q9ULW0 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17645858 | 0.83 | BTK (0.43) | BTKAURKAAURKBINCENPTPX2 | |
| SCHEMBL17660341 | 0.81 | BTK (0.54) | BTK | |
| SCHEMBL17645856 | 0.81 | BTK (0.46) | BTKAURKAAURKBINCENPTPX2 | |
| SCHEMBL24061699 | 0.80 | BTK (0.47) | BTKAURKAAURKBINCENPTPX2 | |
| SCHEMBL17645830 | 0.80 | BTK (0.59) | BTK | |
| SCHEMBL17660318 | 0.77 | BTK (0.80) | BTK | |
| SCHEMBL17660317 | 0.77 | BTK (0.60) | BTK | |
| SCHEMBL17645817 | 0.77 | BTK (0.61) | BTK | |
| SCHEMBL17646049 | 0.77 | AURKA (0.46) | BTKAURKAAURKBINCENPTPX2 | |
| SCHEMBL21791346 | 0.76 | BTK (0.43) | BTKAURKAAURKBINCENPTPX2 |
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-3204382-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-12-01 | — | — | EP | disclosed |