Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.77 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.77 |
| ▸ | DRD3 | P35462 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL7548865 | 1.00 | CCR5 (0.77) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7548860 | 1.00 | CCR5 (0.77) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7547796 | 0.90 | CCR5 (0.78) | CCR5KCNH2DRD3 | |
| SCHEMBL7547789 | 0.90 | CCR5 (0.78) | CCR5KCNH2DRD3 | |
| SCHEMBL7548292 | 0.85 | CCR5 (0.89) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7548287 | 0.85 | CCR5 (0.89) | CCR5KCNH2DRD3SLC6A3 | |
| SCHEMBL7550726 | 0.85 | CCR5 (0.89) | CCR5KCNH2DRD3SLC6A3 | |
| Hydrochloric Acid SCHEMBL5766385 | 0.82 | CCR5 (0.66) | CCR5KCNH2 | |
| SCHEMBL7939747 | 0.82 | CCR5 (0.90) | CCR5KCNH2 | |
| SCHEMBL7939751 | 0.82 | CCR5 (0.90) | CCR5KCNH2 |
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 |