Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3631532 | 0.77 | RAB9A (0.50) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL8558526 | 0.76 | NPC1 (0.40) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL8542466 | 0.75 | ALDH1A1 (0.49) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL31429694 | 0.71 | IDO1 (0.51) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL31429733 | 0.70 | IDO1 (0.58) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL29084865 | 0.70 | IDO1 (0.58) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL1288554 | 0.70 | NISCH (0.52) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL28483804 | 0.69 | NISCH (0.44) | NISCHMTORADKCSNK1A1TYRO3 | |
| SCHEMBL8537019 | 0.69 | IDO1 (0.57) | NPC1RAB9ANISCHMTORADK | |
| SCHEMBL24575956 | 0.68 | CCR1 (0.42) | NPC1RAB9ANISCHMTORADK |
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 |
|---|---|---|---|---|---|---|---|
| CN-108499606-B | O-mercapto aryl nitrogen heterocyclic carbene metal complex catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-11-20 | — | — | CN | disclosed |