Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.70 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL6009154 | 0.93 | CCR5 (0.64) | CCR5CNR1OXTR | |
| SCHEMBL6008412 | 0.88 | CCR5 (0.69) | CCR5 | |
| SCHEMBL6005547 | 0.84 | CCR5 (0.81) | CCR5 | |
| SCHEMBL6008389 | 0.83 | CCR5 (0.70) | CCR5 | |
| SCHEMBL6007056 | 0.82 | CCR5 (0.74) | CCR5 | |
| SCHEMBL6008455 | 0.82 | CCR5 (0.76) | CCR5 | |
| SCHEMBL6005637 | 0.82 | CCR5 (0.75) | CCR5 | |
| SCHEMBL6008042 | 0.81 | CCR5 (0.74) | CCR5 | |
| SCHEMBL6008552 | 0.81 | CCR5 (1.00) | CCR5 | |
| SCHEMBL4458526 | 0.81 | CCR5 (1.00) | CCR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716156-A2 | CHEMOKINE CCR5 RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | EP | claimed |
| WO-2005075484-A2 | CHEMOKINE CCR5 RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-18 | — | — | WO | claimed |