Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 6/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL29074784 | 0.85 | KDM4E (0.41) | LIPEPDGFRBKDRALDH1A1MAPT | |
| SCHEMBL20155117 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTKDM4EGAAL3MBTL1 | |
| SCHEMBL20155620 | 0.83 | EGFR (0.37) | LIPEPDGFRBKDRKMT2ACA1 | |
| SCHEMBL21904936 | 0.78 | JAK2 (0.34) | CA1CA2CA9EGFR | |
| SCHEMBL20155461 | 0.77 | TDO2 (0.38) | LIPEALDH1A1MEN1GAAKMT2A | |
| SCHEMBL29909454 | 0.76 | PDE2A (0.39) | LIPEPDGFRBKDRGAAPDE2A | |
| SCHEMBL4108381 | 0.76 | PDE2A (0.39) | LIPEPDGFRBKDRGAAPDE2A | |
| SCHEMBL20155119 | 0.75 | MAPT (0.41) | ALDH1A1MAPTKDM4EMEN1GAA | |
| SCHEMBL44941 | 0.74 | ALDH1A1 (0.38) | LIPEALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL30990845 | 0.74 | ALDH1A1 (0.38) | LIPEALDH1A1MAPTKDM4EMEN1 |
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 |