Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.64 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.64 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.51 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.51 |
| ▸ | WDR5 | P61964 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL505942 | 0.84 | PDCD1 (0.57) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933432 | 0.84 | PDCD1 (0.57) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933527 | 0.84 | PDCD1 (0.57) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933429 | 0.84 | PDCD1 (0.57) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933431 | 0.83 | WDR5 (0.67) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933440 | 0.83 | PDCD1 (0.59) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL108698 | 0.83 | PDCD1 (0.69) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933694 | 0.82 | PDCD1 (0.55) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933435 | 0.81 | PDCD1 (0.54) | PDCD1CD274TLR8TLR9TLR7 | |
| SCHEMBL15933430 | 0.81 | PDCD1 (0.54) | PDCD1CD274TLR8TLR9TLR7 |
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 |