Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.55 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.55 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | WDR5 | P61964 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL108698 | 0.84 | PDCD1 (0.69) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL15933471 | 0.82 | PDCD1 (0.50) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL15933687 | 0.82 | PDCD1 (0.53) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL505942 | 0.77 | PDCD1 (0.57) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL15933436 | 0.77 | PDCD1 (0.64) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL15933429 | 0.77 | PDCD1 (0.57) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL15933432 | 0.77 | PDCD1 (0.57) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL929109 | 0.77 | PDCD1 (0.48) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL15933527 | 0.77 | PDCD1 (0.57) | PDCD1CD274WDR5ALDH1A1TLR9 | |
| SCHEMBL10747985 | 0.77 | PDCD1 (0.53) | PDCD1CD274WDR5ALDH1A1TLR9 |
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 |