Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24023521 | 0.81 | — | — | |
| SCHEMBL21649880 | 0.78 | CCR1 (0.38) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL25680434 | 0.77 | — | — | |
| SCHEMBL22568135 | 0.75 | CCR1 (0.35) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL24493035 | 0.73 | NOS2 (0.52) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL23559770 | 0.72 | APLNR (0.31) | — | |
| SCHEMBL12895997 | 0.71 | NOS2 (0.48) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL13438495 | 0.70 | CCR1 (0.38) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL21343521 | 0.69 | CCR1 (0.31) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL21937235 | 0.69 | CCR1 (0.31) | 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-2023081759-A1 | BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-05-11 | — | — | WO | disclosed |