Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4973495 | 0.96 | CCR5 (0.57) | CCR5KCNH2CYP2D6CYP3A4LOX | |
| SCHEMBL5502263 | 0.90 | CCR5 (0.48) | CCR5KCNH2CYP2D6CYP3A4LOX | |
| SCHEMBL4977798 | 0.90 | CCR5 (0.48) | CCR5KCNH2CYP2D6CYP3A4LOX | |
| SCHEMBL14284030 | 0.84 | CCR5 (0.55) | CCR5KCNH2CYP2D6CYP3A4LOX | |
| SCHEMBL5498416 | 0.84 | CCR5 (0.55) | CCR5KCNH2CYP2D6CYP3A4LOX | |
| SCHEMBL4975853 | 0.82 | CCR5 (0.51) | CCR5KCNH2CYP2D6CCR2 | |
| SCHEMBL4977781 | 0.71 | CCR2 (0.46) | CCR5CCR2 | |
| SCHEMBL4980101 | 0.70 | CCR5 (0.49) | CCR5KCNH2CYP2D6CYP3A4 | |
| SCHEMBL6011465 | 0.70 | CCR5 (0.61) | CCR5KCNH2CCR2 | |
| SCHEMBL6012136 | 0.70 | CCR5 (0.63) | CCR5KCNH2CYP2D6CYP3A4 |
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-1761491-A1 | NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 | AstraZeneca AB (SE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006001752-A1 | NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 | ASTRAZENECA AB (SE) | 2006-01-05 | — | — | WO | disclosed |