Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FRK | P42685 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155691 | 0.80 | NPC1 (0.40) | — | |
| SCHEMBL20155391 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL27192248 | 0.74 | LRRK2 (0.36) | LRRK2CYP1A2MAP4K4EGFRFRK | |
| SCHEMBL20155045 | 0.72 | ALDH1A1 (0.39) | LRRK2CYP1A2 | |
| SCHEMBL20155044 | 0.72 | MPO (0.38) | LRRK2MAP4K4EGFRFRKMAPK9 | |
| SCHEMBL25105284 | 0.70 | PTGER4 (0.38) | — | |
| SCHEMBL23850448 | 0.70 | ALDH1A1 (0.35) | LRRK2CYP1A2MAP4K4EGFRFRK | |
| SCHEMBL27077536 | 0.70 | MAP4K4 (0.35) | LRRK2CYP1A2MAP4K4EGFRFRK | |
| SCHEMBL2596825 | 0.70 | MAP4K4 (0.37) | LRRK2CYP1A2MAP4K4EGFRFRK | |
| SCHEMBL25105273 | 0.69 | KDM4E (0.41) | CYP1A2 |
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 |