Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15061923 | 0.73 | NOS3 (0.54) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL7922466 | 0.71 | NOS3 (0.38) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL24148824 | 0.71 | CHEK1 (0.34) | — | |
| SCHEMBL26894640 | 0.69 | NOS3 (0.40) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL17778679 | 0.69 | NOS3 (0.40) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL17703483 | 0.69 | NOS1 (0.40) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL15061930 | 0.69 | NOS3 (0.40) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL20086563 | 0.67 | NOS3 (0.38) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL24226815 | 0.67 | ACHE (0.40) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL21710342 | 0.66 | NOS2 (0.32) | NOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | WO | disclosed |