Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.51 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | ALPL | P05186 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 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 | |
|---|---|---|---|---|
| SCHEMBL10749515 | 0.84 | PDCD1 (0.49) | PDCD1CD274HDAC2TLR9TLR8 | |
| SCHEMBL10748507 | 0.84 | PDCD1 (0.49) | PDCD1CD274HDAC2TLR9TLR8 | |
| SCHEMBL10748903 | 0.83 | PDCD1 (0.48) | PDCD1CD274HDAC2TLR9TLR8 | |
| SCHEMBL12781800 | 0.80 | PDCD1 (0.52) | PDCD1CD274HDAC2TLR9TLR8 | |
| SCHEMBL3248199 | 0.79 | WDR5 (0.53) | F2RL3WDR5 | |
| SCHEMBL10747464 | 0.79 | PDCD1 (0.54) | PDCD1CD274HDAC2TLR9TLR8 | |
| Hydrochloric Acid SCHEMBL19664801 | 0.79 | PDCD1 (0.51) | PDCD1CD274HDAC2TLR9TLR8 | |
| SCHEMBL15933432 | 0.78 | PDCD1 (0.57) | PDCD1CD274HDAC2TLR9TLR8 | |
| SCHEMBL4298564 | 0.78 | WDR5 (0.49) | HDAC2HDAC1F2RL3WDR5 | |
| SCHEMBL19674747 | 0.77 | HDAC2 (0.55) | PDCD1CD274HDAC2TLR9TLR8 |
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 |