Predicted protein targets (top 9)
| 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 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18634102 | 0.78 | NOS2 (0.35) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL21009639 | 0.75 | — | — | |
| SCHEMBL19262324 | 0.73 | EGFR (0.33) | — | |
| SCHEMBL19904154 | 0.73 | CCR1 (0.32) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL29952796 | 0.71 | ERN1 (0.46) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL11881227 | 0.71 | CCR1 (0.37) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL6626617 | 0.71 | ERN1 (0.46) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL24434449 | 0.68 | CCR1 (0.43) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL19415151 | 0.67 | CCR1 (0.33) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL15830652 | 0.66 | — | — |
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-3851437-A2 | METHODS OF PREPARING 1H-PYRROLO[2,3-B]PYRIDINE DERIVATES | Vertex Pharmaceuticals Incorporated (US) | 2021-07-21 | — | — | EP | disclosed |