Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 18/20 | 0.49 |
| ▸ | EGFR | P00533 | 5/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | TEC | P42680 | 1/20 | 0.46 |
| ▸ | BMX | P51813 | 1/20 | 0.46 |
| ▸ | CD69 | Q07108 | 1/20 | 0.46 |
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.46 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.46 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14165581 | 1.00 | BTK (0.49) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165742 | 0.88 | BTK (0.53) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165706 | 0.87 | BTK (0.53) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14241647 | 0.85 | BTK (0.62) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165903 | 0.83 | BTK (0.51) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165423 | 0.83 | BTK (0.50) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165422 | 0.83 | BTK (0.50) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14241716 | 0.83 | BTK (0.57) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL24363478 | 0.82 | BTK (0.50) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL28156821 | 0.78 | BTK (0.52) | BTKEGFRKCNH2TECBMX |
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-4056562-A1 | HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE | Merck Patent GmbH (DE) | 2022-09-14 | — | — | EP | disclosed |