Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933472 | 0.85 | PDCD1 (0.52) | PDCD1CD274NPC1RAB9ATLR8 | |
| SCHEMBL15933522 | 0.85 | PDCD1 (0.59) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15933675 | 0.85 | PDCD1 (0.52) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15933521 | 0.84 | PDCD1 (0.69) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5112559 | 0.83 | PDCD1 (0.53) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL15933639 | 0.83 | PDCD1 (0.57) | PDCD1CD274SMN1; SMN2TP53TLR8 | |
| SCHEMBL15933524 | 0.82 | PDCD1 (0.50) | PDCD1CD274NPC1RAB9ATLR8 | |
| SCHEMBL15933518 | 0.81 | PDCD1 (0.52) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15933640 | 0.81 | PDCD1 (0.49) | PDCD1CD274TLR8TLR7HTR2A | |
| SCHEMBL15933476 | 0.77 | PDCD1 (0.48) | PDCD1CD274SMN1; SMN2NPC1RAB9A |
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 |