Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6005547 | 0.88 | CCR5 (0.81) | CCR5KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL6008143 | 0.87 | CCR5 (0.78) | CCR5 | |
| SCHEMBL6005525 | 0.86 | CCR5 (0.77) | CCR5 | |
| SCHEMBL6008042 | 0.86 | CCR5 (0.74) | CCR5KDM4EALDH1A1ACACBACACA | |
| SCHEMBL6008097 | 0.86 | CCR5 (1.00) | CCR5 | |
| SCHEMBL4458526 | 0.86 | CCR5 (1.00) | CCR5 | |
| SCHEMBL6008552 | 0.86 | CCR5 (1.00) | CCR5 | |
| SCHEMBL6008091 | 0.85 | CCR5 (0.73) | CCR5 | |
| SCHEMBL6005876 | 0.85 | CCR5 (0.84) | CCR5 | |
| SCHEMBL6007299 | 0.85 | CCR5 (0.76) | CCR5TSHR |
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 |