Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 1.00 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.62 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.62 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.62 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7542220 | 0.94 | CCR5 (1.00) | CCR5 | |
| SCHEMBL7938399 | 0.88 | CCR5 (0.78) | CCR5 | |
| SCHEMBL7938402 | 0.88 | CCR5 (0.78) | CCR5 | |
| SCHEMBL7546503 | 0.88 | CCR5 (0.87) | CCR5 | |
| SCHEMBL7548515 | 0.81 | CCR5 (0.68) | CCR5 | |
| SCHEMBL7543463 | 0.80 | CCR5 (1.00) | CCR5 | |
| SCHEMBL7550208 | 0.78 | CCR5 (0.72) | CCR5 | |
| SCHEMBL7543686 | 0.78 | CCR5 (1.00) | CCR5 | |
| SCHEMBL7735756 | 0.77 | CCR5 (0.74) | CCR5CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7495004 | 0.77 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |