Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTAFR | P25105 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067795 | 0.71 | KDM4C (0.40) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL6288510 | 0.71 | GRM5 (0.43) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL20155008 | 0.70 | MAPT (0.30) | — | |
| SCHEMBL23729876 | 0.69 | GRM5 (0.43) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL23704078 | 0.69 | GRM5 (0.43) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL19715648 | 0.69 | GRM5 (0.36) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL29180483 | 0.69 | KDM4C (0.39) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL25281590 | 0.68 | KDM4C (0.38) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL1255880 | 0.68 | GRM5 (0.41) | NPC1RAB9AGRM5KDM4CGCK | |
| SCHEMBL25234156 | 0.68 | NPC1 (0.39) | NPC1RAB9AGRM5KDM4CGCK |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |