Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CHUK | O15111 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.39 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28666834 | 0.81 | BTK (0.42) | MAPK1ACVR1BTKGPR52MTOR | |
| SCHEMBL2781920 | 0.76 | NOS3 (0.47) | ALOX5APFEN1 | |
| SCHEMBL17660346 | 0.75 | ALOX5AP (0.42) | ALOX5APFEN1BTKMTOR | |
| SCHEMBL17645746 | 0.74 | BTK (0.41) | BTK | |
| SCHEMBL17670765 | 0.74 | BTK (0.41) | ALOX5APFEN1BTKMAP4K4 | |
| SCHEMBL5992835 | 0.72 | ACMSD (0.55) | ALOX5APFEN1DGAT1ACVR1CDC7 | |
| SCHEMBL17555671 | 0.71 | CDK2 (0.43) | IKBKBCHUKACVR1MAP4K4 | |
| SCHEMBL21248760 | 0.70 | NOS3 (0.45) | MAPK1IKBKBCHUKMKNK1MKNK2 | |
| SCHEMBL13506871 | 0.70 | NOS3 (0.41) | MAP4K4MTOR | |
| SCHEMBL17555726 | 0.69 | FYN (0.49) | MAP4K4CDC7MTOR |
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 |