Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 4/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 3/20 | 0.41 |
| ▸ | TACR3 | P29371 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3466113 | 1.00 | CCR5 (0.46) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3466112 | 0.87 | CCR5 (0.48) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3466111 | 0.87 | CCR5 (0.48) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13345672 | 0.86 | CCR5 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3466598 | 0.85 | CCR5 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3466847 | 0.85 | CCR5 (0.51) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3466599 | 0.85 | CCR5 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13345602 | 0.85 | CCR5 (0.51) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3466867 | 0.85 | CCR5 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13345670 | 0.85 | CCR5 (0.47) | CCR5PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010071575-A1 | QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF | ASTRAZENECA AB (SE) | 2010-06-24 | — | — | WO | claimed |
| WO-2010071575-A1 | QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF | ASTRAZENECA AB (SE) | 2010-06-24 | — | — | WO | disclosed |