Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27069703 | 0.74 | GABRA1 (0.34) | CCR1CCR5CCR8 | |
| SCHEMBL24606236 | 0.71 | CYP1A2 (0.33) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL12895997 | 0.70 | NOS2 (0.48) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL25463256 | 0.69 | CCR1 (0.32) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL16690510 | 0.69 | — | — | |
| SCHEMBL13438495 | 0.69 | CCR1 (0.38) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL8815626 | 0.67 | ALDH1A1 (0.37) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL20285918 | 0.67 | CCR1 (0.37) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL24982248 | 0.67 | CCR1 (0.37) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL22972634 | 0.67 | CCR1 (0.37) | CCR1CCR5CCR8NOS3NOS2 |
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-2019173790-A1 | PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF | HLA TIMOTHY (US) | 2019-09-12 | — | — | WO | disclosed |