Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5238420 | 0.92 | CCR5 (0.51) | CCR5KCNH2CYP2D6CYP3A4 | |
| SCHEMBL5237103 | 0.90 | CCR5 (0.53) | CCR5KCNH2CYP2D6 | |
| SCHEMBL5234414 | 0.89 | CCR5 (0.57) | CCR5KCNH2CYP2D6 | |
| SCHEMBL3303563 | 0.86 | CCR5 (0.59) | CCR5KCNH2CYP2D6 | |
| SCHEMBL14395124 | 0.86 | CCR5 (0.55) | CCR5KCNH2CYP2D6CYP3A4 | |
| SCHEMBL5238997 | 0.85 | CCR5 (0.58) | CCR5KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL5235331 | 0.85 | CCR5 (0.54) | CCR5KCNH2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL5235339 | 0.85 | CCR5 (0.54) | CCR5KCNH2CYP2D6CYP3A4 | |
| SCHEMBL5232080 | 0.84 | CCR5 (0.55) | CCR5KCNH2CYP2D6CYP3A4 | |
| SCHEMBL5219971 | 0.83 | CCR5 (0.60) | CCR5KCNH2CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1648871-B1 | PIPERIDINE OR 8-AZA-BICYCLO 3.2.1 OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | EP | disclosed |