Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 3/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.53 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | CDK7 | P50613 | 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 | |
|---|---|---|---|---|
| SCHEMBL15933688 | 0.82 | PDCD1 (0.55) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL15933679 | 0.81 | PDCD1 (0.45) | PDCD1CD274TLR8TLR7PIM1 | |
| SCHEMBL5112559 | 0.81 | PDCD1 (0.53) | PDCD1CD274TLR8TLR7ROCK1 | |
| SCHEMBL15933521 | 0.79 | PDCD1 (0.69) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL15933623 | 0.79 | PDCD1 (0.44) | PDCD1CD274TLR8TLR7ROCK1 | |
| SCHEMBL15933522 | 0.77 | PDCD1 (0.59) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL15933685 | 0.77 | PDCD1 (0.52) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL15933472 | 0.77 | PDCD1 (0.52) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL15933675 | 0.77 | PDCD1 (0.52) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL17984859 | 0.77 | PDCD1 (0.49) | PDCD1CD274TLR8TLR7 |
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-2014117318-A1 | NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF | 中国科学院上海药物研究所 (CN) | 2014-08-07 | — | — | WO | disclosed |