Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 17/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4206072 | 0.89 | ATM (0.42) | CCR5KCNH2MAPK1 | |
| SCHEMBL4597782 | 0.88 | CYP3A4 (0.42) | — | |
| SCHEMBL4552337 | 0.84 | CCR5 (0.48) | CCR5KCNH2 | |
| SCHEMBL4552338 | 0.83 | CCR5 (0.47) | CCR5KCNH2 | |
| SCHEMBL13946615 | 0.78 | ATM (0.42) | CCR5MAPK1 | |
| SCHEMBL13946618 | 0.78 | KDM4E (0.44) | CCR5MAPK1 | |
| SCHEMBL5575420 | 0.77 | GPR119 (0.48) | MAPK1 | |
| SCHEMBL3754554 | 0.77 | GPR119 (0.48) | MAPK1 | |
| SCHEMBL13969503 | 0.70 | KDM4E (0.45) | CCR5MAPK1 | |
| SCHEMBL13946591 | 0.70 | KDM4E (0.46) | CCR5MAPK1 |
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-2009013171-A2 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | WO | disclosed |