Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | WDR5 | P61964 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933694 | 0.84 | PDCD1 (0.55) | PDCD1CD274TLR9TLR8TLR7 | |
| SCHEMBL10747985 | 0.84 | PDCD1 (0.53) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL15933587 | 0.83 | PDCD1 (0.46) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL10747141 | 0.82 | PDCD1 (0.52) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL15933686 | 0.82 | NPC1 (0.61) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL15933525 | 0.82 | PDCD1 (0.52) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL10750012 | 0.82 | PDCD1 (0.52) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL15933440 | 0.82 | PDCD1 (0.59) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL12781800 | 0.82 | PDCD1 (0.52) | NPC1RAB9APDCD1CD274TLR9 | |
| SCHEMBL108698 | 0.82 | PDCD1 (0.69) | NPC1RAB9APDCD1CD274TLR9 |
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 |