Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4977798 | 1.00 | CCR5 (0.48) | CCR5MMP1MMP2MMP9KCNH2 | |
| SCHEMBL4973495 | 0.91 | CCR5 (0.57) | CCR5MMP1MMP2MMP9KCNH2 | |
| SCHEMBL5503283 | 0.90 | CCR5 (0.55) | CCR5MMP1MMP2MMP9KCNH2 | |
| SCHEMBL14284030 | 0.80 | CCR5 (0.55) | CCR5KCNH2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL5498416 | 0.80 | CCR5 (0.55) | CCR5KCNH2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL4975853 | 0.76 | CCR5 (0.51) | CCR5KCNH2CYP2D6 | |
| SCHEMBL4980101 | 0.70 | CCR5 (0.49) | CCR5KCNH2CYP3A4CYP2D6 | |
| SCHEMBL6011337 | 0.68 | CCR5 (0.53) | CCR5KCNH2 | |
| SCHEMBL4974373 | 0.67 | CCR5 (0.46) | CCR5KCNH2CYP3A4CYP2D6 | |
| SCHEMBL4977781 | 0.65 | CCR2 (0.46) | CCR5 |
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 |