Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 8/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HK1 | P19367 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933630 | 0.84 | PDCD1 (0.53) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933631 | 0.84 | PDCD1 (0.56) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933590 | 0.84 | PDCD1 (0.50) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933483 | 0.83 | PDCD1 (0.48) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL407298 | 0.83 | PDCD1 (0.54) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933627 | 0.82 | PDCD1 (0.48) | PDCD1CD274TLR9TLR7TLR8 | |
| Bromide SCHEMBL439705 | 0.81 | PDCD1 (0.53) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933628 | 0.81 | CD274 (0.59) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933626 | 0.81 | ASIC3 (0.51) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933629 | 0.81 | TLR9 (0.53) | PDCD1CD274TLR9TLR7TLR8 |
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 |