Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 8/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.48 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15164318 | 0.88 | PDCD1 (0.52) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL327547 | 0.85 | PDCD1 (0.48) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL3156931 | 0.85 | PDCD1 (0.54) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933482 | 0.85 | PDCD1 (0.54) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933625 | 0.85 | PDCD1 (0.48) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL407298 | 0.84 | PDCD1 (0.54) | PDCD1CD274TLR9TLR7TLR8 | |
| Hydrochloric Acid SCHEMBL30785571 | 0.84 | PDCD1 (0.53) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL12340037 | 0.83 | PDCD1 (0.52) | PDCD1CD274TLR9TLR7TLR8 | |
| Bromide SCHEMBL439705 | 0.83 | PDCD1 (0.53) | PDCD1CD274TLR9TLR7TLR8 | |
| SCHEMBL15933591 | 0.83 | PDCD1 (0.50) | 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 |