Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.43 |
| ▸ | CCR5 | P51681 | 3/20 | 0.43 |
| ▸ | CCR8 | P51685 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226896 | 0.75 | CCR1 (0.52) | CCR1CCR5CCR8NPC1HSP90AA1 | |
| SCHEMBL19936158 | 0.65 | — | — | |
| SCHEMBL12957244 | 0.65 | — | — | |
| SCHEMBL25841381 | 0.64 | MET (0.43) | — | |
| SCHEMBL16978327 | 0.64 | DYRK1A (0.36) | CCR1CCR5CCR8NPC1HSP90AA1 | |
| SCHEMBL11920833 | 0.63 | L3MBTL1 (0.70) | CCR1CCR5CCR8NPC1HSP90AA1 | |
| SCHEMBL23820848 | 0.62 | — | — | |
| SCHEMBL12074308 | 0.62 | — | — | |
| SCHEMBL7878469 | 0.62 | — | — | |
| SCHEMBL14062998 | 0.62 | — | — |
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-2012171609-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-12-20 | — | — | WO | disclosed |