Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | PI4KA | P42356 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.31 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.31 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 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 | |
|---|---|---|---|---|
| SCHEMBL30194269 | 1.00 | NOS1 (0.37) | NOS1AXLIDO1TDO2RET | |
| SCHEMBL30550970 | 0.79 | NOS1 (0.39) | NOS1AXLIDO1TDO2RET | |
| SCHEMBL20639279 | 0.79 | NOS1 (0.39) | NOS1AXLIDO1TDO2RET | |
| SCHEMBL30515856 | 0.76 | RET (0.47) | NOS1AXLIDO1TDO2RET | |
| SCHEMBL21579418 | 0.76 | RET (0.47) | NOS1AXLIDO1TDO2RET | |
| SCHEMBL31260986 | 0.76 | NOS1 (0.41) | NOS1AXLIDO1TDO2RET | |
| SCHEMBL25319103 | 0.72 | PDPK1 (0.51) | NOS1AXLRETPI4KAXDH | |
| SCHEMBL24785354 | 0.72 | AXL (0.37) | NOS1AXL | |
| SCHEMBL30966319 | 0.72 | METAP2 (0.33) | NOS1AXLRETPI4KAXDH | |
| SCHEMBL25183087 | 0.72 | METAP2 (0.33) | NOS1AXLRETPI4KAXDH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300154-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 上海弘翊生物科技有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-112300154-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 上海弘翊生物科技有限公司 | 2021-02-02 | — | — | CN | disclosed |
| 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 |