Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 17/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.59 |
| ▸ | EGFR | P00533 | 4/20 | 0.59 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TEC | P42680 | 1/20 | 0.48 |
| ▸ | BMX | P51813 | 1/20 | 0.48 |
| ▸ | CD69 | Q07108 | 1/20 | 0.48 |
| ▸ | ITK | Q08881 | 1/20 | 0.48 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.48 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.48 |
| ▸ | NUDT5 | Q9UKK9 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14165524 | 0.93 | BTK (0.60) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL18557510 | 0.88 | BTK (0.65) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL14165452 | 0.87 | BTK (0.54) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL14165490 | 0.87 | BTK (0.54) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL14165613 | 0.86 | BTK (0.56) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL14165610 | 0.86 | BTK (0.56) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL14165388 | 0.86 | BTK (0.53) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL27968932 | 0.83 | BTK (0.54) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL27968935 | 0.78 | BTK (0.55) | BTKKCNH2EGFRTECBMX | |
| SCHEMBL14241646 | 0.78 | BTK (0.71) | BTKKCNH2EGFRALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9580449-B2 | Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity | MERCK PATENT GMBH (DE) | 2017-02-28 | — | — | US | disclosed |