Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 8/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 7/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17660346 | 0.87 | ALOX5AP (0.42) | BTKEPHB4FEN1ALOX5APENPP1 | |
| SCHEMBL17645746 | 0.79 | BTK (0.41) | BTKENPP1 | |
| SCHEMBL2781920 | 0.78 | NOS3 (0.47) | EPHB4FEN1ALOX5APNOS3NOS2 | |
| SCHEMBL17670764 | 0.74 | MAPK1 (0.45) | BTKFEN1ALOX5APMAP4K4 | |
| SCHEMBL26953407 | 0.73 | CCNK (0.53) | ROCK1MAP4K4 | |
| SCHEMBL17555671 | 0.73 | CDK2 (0.43) | NOS3NOS2ROCK1USP7MAP4K4 | |
| SCHEMBL30950557 | 0.73 | BTK (0.43) | BTKFEN1ALOX5AP | |
| SCHEMBL17645694 | 0.73 | BTK (0.43) | BTKFEN1ALOX5AP | |
| SCHEMBL24791637 | 0.72 | ADRB2 (0.52) | BTKLOXL2 | |
| SCHEMBL30083519 | 0.72 | ADRB2 (0.52) | BTKLOXL2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3204382-A1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057500-A1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-04-14 | — | — | WO | disclosed |