Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 18/20 | 0.47 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615280 | 0.94 | LRRK2 (0.45) | LRRK2ALK | |
| SCHEMBL17969778 | 0.93 | LRRK2 (0.47) | LRRK2MAP3K9MKNK2ALK | |
| SCHEMBL16615278 | 0.92 | ALK (0.43) | LRRK2ALKDYRK1A | |
| SCHEMBL17918708 | 0.88 | LRRK2 (0.49) | LRRK2MAP3K9MKNK2 | |
| SCHEMBL17918803 | 0.84 | LRRK2 (0.48) | LRRK2MAP3K9MKNK2DYRK1A | |
| SCHEMBL16615356 | 0.84 | ALK (0.55) | LRRK2MAP3K9MKNK2ALKDYRK1A | |
| SCHEMBL17918709 | 0.81 | ALK (0.47) | LRRK2ALK | |
| SCHEMBL16615271 | 0.81 | ALK (0.39) | LRRK2ALKDYRK1A | |
| SCHEMBL17918849 | 0.79 | MET (0.43) | ALK | |
| SCHEMBL17918804 | 0.79 | LRRK2 (0.49) | LRRK2MAP3K9MKNK2 |
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-3050884-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | Limited Liability Company "National Pharmaceutical (RU) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |