Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4556868 | 0.80 | BACE1 (0.34) | — | |
| SCHEMBL8414776 | 0.80 | BACE1 (0.38) | CCR1CCR5CCR8 | |
| SCHEMBL7563185 | 0.78 | CYP19A1 (0.31) | — | |
| SCHEMBL7558689 | 0.74 | BACE1 (0.47) | — | |
| SCHEMBL13081679 | 0.73 | BRD4 (0.36) | — | |
| SCHEMBL2967204 | 0.73 | BACE1 (0.41) | — | |
| SCHEMBL2967201 | 0.73 | BACE1 (0.41) | — | |
| SCHEMBL4549211 | 0.72 | BACE1 (0.49) | — | |
| SCHEMBL8437193 | 0.71 | CYP2A6 (0.36) | — | |
| SCHEMBL7543598 | 0.71 | BACE1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8168641-B2 | Aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-01 | — | — | US | disclosed |