Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7545366 | 1.00 | CCR5 (0.49) | CCR5RIPK1PDE5AGRIA4SCD5 | |
| SCHEMBL7931974 | 0.88 | RIPK1 (0.41) | CCR5RIPK1PDE5AMC4R | |
| SCHEMBL7495801 | 0.88 | RIPK1 (0.41) | CCR5RIPK1PDE5AMC4R | |
| SCHEMBL7499223 | 0.83 | RIPK1 (0.39) | CCR5RIPK1PDE5AMC4R | |
| SCHEMBL7931936 | 0.83 | CCR5 (0.57) | CCR5RIPK1PDE5AKCNH2 | |
| SCHEMBL7931848 | 0.83 | CCR5 (0.57) | CCR5RIPK1PDE5AKCNH2 | |
| SCHEMBL7498060 | 0.83 | CCR5 (0.57) | CCR5RIPK1PDE5AKCNH2 | |
| SCHEMBL7549348 | 0.83 | CCR5 (0.57) | CCR5RIPK1PDE5AKCNH2 | |
| SCHEMBL7499703 | 0.81 | RIPK1 (0.38) | CCR5RIPK1PDE5ADPP4 | |
| SCHEMBL7931953 | 0.81 | RIPK1 (0.38) | CCR5RIPK1PDE5ADPP4 |
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 |