Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 17/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4385620 | 0.76 | CCR5 (1.00) | CCR5CYP3A4KCNH2 | |
| SCHEMBL619811 | 0.74 | CCR5 (1.00) | CCR5CYP3A4KCNH2 | |
| SCHEMBL4391363 | 0.73 | CCR5 (0.62) | CCR5CYP3A4KCNH2 | |
| SCHEMBL3843997 | 0.71 | CCR5 (1.00) | CCR5KCNH2 | |
| SCHEMBL3837942 | 0.71 | CCR5 (1.00) | CCR5CYP3A4KCNH2 | |
| SCHEMBL3837456 | 0.69 | CCR5 (0.88) | CCR5CYP3A4KCNH2 | |
| SCHEMBL3840733 | 0.68 | CCR5 (1.00) | CCR5CYP3A4KCNH2 | |
| Hydrochloric Acid SCHEMBL4199725 | 0.67 | CCR5 (0.71) | CCR5CYP3A4KCNH2 | |
| SCHEMBL14024851 | 0.67 | CCR5 (0.84) | CCR5CYP3A4KCNH2 | |
| SCHEMBL4208021 | 0.67 | CCR5 (0.67) | 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-1551827-A1 | PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS | Novartis AG (CH) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004031172-A1 | PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS | NOVARTIS AG (CH) | 2004-04-15 | — | — | WO | disclosed |