Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 3/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 7/20 | 0.36 |
| ▸ | MELK | Q14680 | 4/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23836989 | 0.94 | MELK (0.41) | LRRK2MAP4K4MELK | |
| SCHEMBL22013423 | 0.89 | KHK (0.37) | KHKLRRK2MAP4K4P2RX7 | |
| SCHEMBL23837007 | 0.88 | LRRK2 (0.45) | LRRK2MAP4K4 | |
| SCHEMBL23837009 | 0.88 | P2RX7 (0.39) | LRRK2MAP4K4MELKP2RX7 | |
| SCHEMBL23837050 | 0.88 | P2RX7 (0.39) | LRRK2MAP4K4MELKP2RX7 | |
| SCHEMBL22013656 | 0.88 | CHRNA4 (0.40) | KHKLRRK2 | |
| SCHEMBL23836949 | 0.86 | MET (0.40) | KHKLRRK2 | |
| SCHEMBL23837042 | 0.86 | MAP4K4 (0.34) | LRRK2MAP4K4MELKP2RX7 | |
| SCHEMBL23836952 | 0.86 | MET (0.39) | KHKMELKP2RX7 | |
| SCHEMBL22013265 | 0.86 | P2RX7 (0.34) | LRRK2MAP4K4P2RX7 |
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-3882247-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) | 2021-09-22 | — | — | EP | disclosed |
| WO-2020098723-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | 上海轶诺药业有限公司 | 2020-05-22 | — | — | WO | disclosed |