Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6007335 | 0.91 | CCR5 (0.59) | CCR5 | |
| SCHEMBL6006767 | 0.91 | CCR5 (0.53) | CCR5KDM4EALDH1A1 | |
| SCHEMBL6008620 | 0.83 | CCR5 (0.63) | CCR5 | |
| SCHEMBL6008323 | 0.83 | CCR5 (0.59) | CCR5 | |
| SCHEMBL6009045 | 0.83 | CCR5 (0.61) | CCR5 | |
| SCHEMBL6008496 | 0.82 | CCR5 (0.59) | CCR5 | |
| SCHEMBL6008294 | 0.81 | CCR5 (0.73) | CCR5 | |
| SCHEMBL6009119 | 0.81 | CCR5 (0.67) | CCR5 | |
| Trifluoroacetic Acid SCHEMBL6009083 | 0.79 | CCR5 (0.62) | CCR5 | |
| SCHEMBL6008613 | 0.79 | CCR5 (0.71) | 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 |