Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 6/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | RAF1 | P04049 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HTR5A | P47898 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1497072 | 0.92 | PDCD1 (0.38) | PDCD1CD274ROCK1RAF1HIF1A | |
| SCHEMBL1497058 | 0.92 | HIF1A (0.44) | PDCD1CD274ROCK1RAF1HIF1A | |
| SCHEMBL1483172 | 0.91 | HIF1A (0.42) | PDCD1CD274ROCK1HIF1AHTR5A | |
| SCHEMBL1497014 | 0.87 | HIF1A (0.48) | ROCK1HIF1AHTR5AHDAC3HDAC1 | |
| SCHEMBL1496888 | 0.87 | ROCK1 (0.40) | PDCD1CD274ROCK1HIF1AHTR5A | |
| SCHEMBL8004129 | 0.87 | ROCK2 (0.40) | PDCD1CD274ROCK1RAF1HIF1A | |
| SCHEMBL8001271 | 0.86 | HIF1A (0.41) | PDCD1CD274ROCK1HIF1AHTR5A | |
| SCHEMBL8004725 | 0.86 | PDCD1 (0.37) | PDCD1CD274ROCK1HDAC3HDAC1 | |
| SCHEMBL8001278 | 0.85 | HDAC2 (0.39) | PDCD1CD274ROCK1HDAC3HDAC1 | |
| SCHEMBL8001655 | 0.85 | HDAC1 (0.43) | ROCK1RAF1HDAC3HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2292611-A1 | NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE | Santen Pharmaceutical Co., Ltd (JP) | 2011-03-09 | — | — | EP | disclosed |