Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 7/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL30950557 | 0.88 | BTK (0.43) | BTKGRM2ALOX5APFEN1 | |
| SCHEMBL17645694 | 0.88 | BTK (0.43) | BTKGRM2ALOX5APFEN1 | |
| SCHEMBL16794005 | 0.84 | AAK1 (0.48) | BTKAAK1MAP4K4 | |
| SCHEMBL29676504 | 0.84 | AAK1 (0.48) | BTKAAK1MAP4K4 | |
| SCHEMBL17664695 | 0.81 | GRM2 (0.36) | AAK1GRM2MAPKAPK2KDM4AALOX5AP | |
| SCHEMBL16793748 | 0.81 | BTK (0.63) | BTKAAK1 | |
| SCHEMBL22664870 | 0.81 | AAK1 (0.42) | BTKAAK1KDM4AL3MBTL1 | |
| SCHEMBL17660370 | 0.80 | KCNA5 (0.42) | BTKAKT1MAPKAPK2KDM4AL3MBTL1 | |
| SCHEMBL29533368 | 0.78 | STK17B (0.41) | BTKAAK1GRM2KDM4A | |
| SCHEMBL22664600 | 0.78 | STK17B (0.41) | BTKAAK1GRM2KDM4A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016057500-A1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-04-14 | — | — | WO | disclosed |