Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL15933529 | 0.84 | PDCD1 (0.54) | PDCD1CD274TLR8TLR7LMNA | |
| SCHEMBL15933675 | 0.84 | PDCD1 (0.52) | PDCD1CD274AHRHRH4TLR8 | |
| SCHEMBL5112559 | 0.82 | PDCD1 (0.53) | PDCD1CD274TLR8TLR7 | |
| SCHEMBL15933472 | 0.81 | PDCD1 (0.52) | PDCD1CD274AHRHRH4TLR8 | |
| SCHEMBL15933685 | 0.81 | PDCD1 (0.52) | PDCD1CD274AHRHRH4TLR8 | |
| SCHEMBL15933522 | 0.81 | PDCD1 (0.59) | PDCD1CD274AHRHRH4TLR8 | |
| SCHEMBL15933521 | 0.81 | PDCD1 (0.69) | PDCD1CD274TLR8TLR7LMNA | |
| SCHEMBL31612670 | 0.81 | PDCD1 (0.43) | PDCD1CD274HRH4TLR8TLR7 | |
| SCHEMBL15933524 | 0.79 | PDCD1 (0.50) | PDCD1CD274AHRHRH4TLR8 | |
| SCHEMBL15933518 | 0.78 | PDCD1 (0.52) | PDCD1CD274TLR8TLR7HTR2A |
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 |