Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 19/20 | 0.58 |
| ▸ | EGFR | P00533 | 5/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.58 |
| ▸ | TEC | P42680 | 1/20 | 0.41 |
| ▸ | BMX | P51813 | 1/20 | 0.41 |
| ▸ | CD69 | Q07108 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.41 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.41 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.41 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14242091 | 0.80 | BTK (0.63) | BTKEGFRKCNH2 | |
| SCHEMBL14241646 | 0.77 | BTK (0.71) | BTKEGFRKCNH2 | |
| SCHEMBL14165496 | 0.74 | BTK (1.00) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14241647 | 0.73 | BTK (0.62) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165452 | 0.73 | BTK (0.54) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165859 | 0.72 | BTK (0.68) | BTKEGFRKCNH2 | |
| SCHEMBL27968935 | 0.72 | BTK (0.55) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL14165524 | 0.71 | BTK (0.60) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL24363479 | 0.71 | BTK (0.53) | BTKEGFRKCNH2TECBMX | |
| SCHEMBL15804871 | 0.71 | BTK (0.71) | 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-2718270-B1 | COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY | MERCK PATENT GMBH (DE) | 2022-04-27 | — | — | EP | disclosed |