Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.60 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.50 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.49 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.49 |
| ▸ | MET | P08581 | 8/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | TTK | P33981 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.44 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28764958 | 0.82 | LRRK2 (0.48) | LRRK2MAP4K4IKBKETBK1MET | |
| SCHEMBL21557014 | 0.81 | LRRK2 (0.55) | LRRK2MAP4K4IKBKETBK1MET | |
| SCHEMBL16679332 | 0.81 | LRRK2 (0.55) | LRRK2MAP4K4IKBKETBK1MET | |
| SCHEMBL21603501 | 0.80 | ALDH1A1 (0.54) | LRRK2METAURKATTKAURKB | |
| SCHEMBL28516648 | 0.79 | LRRK2 (0.52) | LRRK2MAP4K4IKBKETBK1MET | |
| SCHEMBL29640807 | 0.79 | LRRK2 (0.52) | LRRK2MAP4K4IKBKETBK1MET | |
| SCHEMBL15358997 | 0.79 | LRRK2 (0.89) | LRRK2MAP4K4METMAPK1FGFR1 | |
| SCHEMBL15359091 | 0.78 | LRRK2 (0.62) | LRRK2MAP4K4IKBKETBK1MET | |
| SCHEMBL992070 | 0.78 | ERN1 (0.55) | LRRK2MAP4K4IKBKETBK1MET | |
| SCHEMBL15333316 | 0.76 | LRRK2 (0.72) | LRRK2MAP4K4METMAPK1FGFR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3344613-B1 | HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS | DONG A SOCIO HOLDINGS CO LTD (KR) | 2020-03-04 | — | — | EP | disclosed |