Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL29399777 | 1.00 | HSP90AA1 (0.36) | HSP90AA1NPC1L3MBTL1CCR1CCR5 | |
| SCHEMBL16345858 | 1.00 | HSP90AA1 (0.36) | HSP90AA1NPC1L3MBTL1CCR1CCR5 | |
| Methane SCHEMBL28329646 | 0.97 | HSP90AA1 (0.34) | HSP90AA1NPC1L3MBTL1CCR1CCR5 | |
| Fluoromethane SCHEMBL28912319 | 0.93 | HSP90AA1 (0.37) | HSP90AA1NPC1L3MBTL1CCR1CCR5 | |
| SCHEMBL29151853 | 0.89 | NPC1 (0.30) | HSP90AA1NPC1L3MBTL1 | |
| SCHEMBL28350921 | 0.85 | PDE10A (0.32) | — | |
| SCHEMBL21297748 | 0.84 | NPC1 (0.43) | HSP90AA1NPC1L3MBTL1CCR1CCR5 | |
| SCHEMBL21297742 | 0.84 | NPC1 (0.43) | HSP90AA1NPC1L3MBTL1CCR1CCR5 | |
| SCHEMBL10820360 | 0.83 | EGFR (0.35) | HSP90AA1EGFR | |
| SCHEMBL28815049 | 0.78 | MET (0.31) | — |
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-109689643-B | Organic molecules for organic optoelectronic devices | 辛诺拉有限公司 | 2022-03-01 | — | — | CN | disclosed |