Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5795462 | 0.99 | CCR5 (0.72) | CCR5KCNH2DRD3 | |
| SCHEMBL7552888 | 0.93 | CCR5 (0.71) | CCR5KCNH2 | |
| SCHEMBL7592491 | 0.92 | CCR5 (0.77) | CCR5KCNH2DRD3 | |
| Hydrochloric Acid SCHEMBL5763918 | 0.92 | CCR5 (0.70) | CCR5KCNH2 | |
| SCHEMBL7589539 | 0.92 | CCR5 (0.69) | CCR5KCNH2 | |
| Hydrochloric Acid SCHEMBL5765063 | 0.92 | CCR5 (0.76) | CCR5KCNH2DRD3 | |
| Hydrochloric Acid SCHEMBL5765179 | 0.92 | CCR5 (0.68) | CCR5KCNH2 | |
| SCHEMBL7549793 | 0.89 | CCR5 (0.73) | CCR5KCNH2 | |
| Hydrochloric Acid SCHEMBL5763944 | 0.89 | CCR5 (0.72) | CCR5KCNH2 | |
| SCHEMBL7546092 | 0.89 | CCR5 (0.72) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |