Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 10/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24587409 | 0.81 | CRHR1 (0.35) | PGK1CRHR1ADRA2AADRA2CADRA1D | |
| SCHEMBL24588281 | 0.74 | PGK1 (0.31) | PGK1 | |
| SCHEMBL24588294 | 0.72 | LRRK2 (0.42) | PGK1GSK3BMAP4K2ADRA2AADRA1D | |
| SCHEMBL24587302 | 0.72 | PDE10A (0.34) | PGK1PDE10A | |
| SCHEMBL30586323 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL25388165 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL31247578 | 0.71 | MEN1 (0.40) | NOS3NOS1NOS2 | |
| SCHEMBL24587298 | 0.70 | NOS3 (0.37) | CRHR1NOS3NOS1NOS2 | |
| SCHEMBL31421660 | 0.70 | NOS3 (0.37) | CRHR1NOS3NOS1NOS2 | |
| SCHEMBL9229440 | 0.69 | MAPT (0.40) | — |
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-2022135430-A1 | HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-06-30 | — | — | WO | disclosed |