Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.80 |
| ▸ | CCR5 | P51681 | 12/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL4013597 | 1.00 | KCNH2 (0.80) | KCNH2CCR5 | |
| Hydrochloric Acid SCHEMBL3071462 | 0.99 | KCNH2 (0.79) | KCNH2CCR5 | |
| Hydrochloric Acid SCHEMBL3071458 | 0.99 | KCNH2 (0.79) | KCNH2CCR5 | |
| SCHEMBL4018898 | 0.94 | CCR5 (0.81) | KCNH2CCR5 | |
| SCHEMBL4018901 | 0.94 | CCR5 (0.81) | KCNH2CCR5 | |
| SCHEMBL5678710 | 0.92 | KCNH2 (0.70) | KCNH2CCR5 | |
| SCHEMBL13719172 | 0.91 | CCR5 (0.69) | KCNH2CCR5 | |
| Hydrochloric Acid SCHEMBL4013595 | 0.90 | CCR5 (0.68) | KCNH2CCR5 | |
| Hydrochloric Acid SCHEMBL4013592 | 0.90 | CCR5 (0.68) | KCNH2CCR5 | |
| SCHEMBL1198749 | 0.89 | KCNH2 (1.00) | KCNH2CCR5 |
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-1682545-B1 | IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION | PFIZER LTD (GB) | 2007-12-12 | — | — | EP | disclosed |