Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.52 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.52 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.52 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.52 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7730605 | 0.94 | CCR5 (0.58) | CCR5 | |
| SCHEMBL7723337 | 0.88 | CCR5 (0.51) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7732746 | 0.87 | CCR5 (0.49) | CCR5 | |
| SCHEMBL7730814 | 0.83 | CCR5 (0.53) | CCR5 | |
| SCHEMBL7733902 | 0.82 | CCR5 (0.51) | CCR5 | |
| SCHEMBL7736194 | 0.73 | CCR5 (0.52) | CCR5 | |
| SCHEMBL7730565 | 0.69 | CCR5 (0.63) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7541401 | 0.69 | CCR5 (1.00) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7492593 | 0.69 | CCR5 (1.00) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7987034 | 0.69 | CCR5 (1.00) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| US-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |
| WO-2000059497-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |