Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.47 |
| ▸ | TACR3 | P29371 | 6/20 | 0.45 |
| ▸ | TACR2 | P21452 | 5/20 | 0.45 |
| ▸ | TACR1 | P25103 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7944707 | 0.94 | TACR3 (0.47) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL6543209 | 0.94 | TACR3 (0.47) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL7467640 | 0.94 | CCR5 (0.52) | CCR5TACR3TACR2TACR1PDE4A | |
| SCHEMBL8590898 | 0.89 | TACR2 (0.46) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL3466115 | 0.86 | CCR5 (0.46) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL3466113 | 0.86 | CCR5 (0.46) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL13345602 | 0.86 | CCR5 (0.51) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL3466847 | 0.86 | CCR5 (0.51) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL8296260 | 0.86 | TACR3 (0.44) | CCR5TACR3TACR2TACR1CYP3A4 | |
| SCHEMBL13345678 | 0.85 | CCR5 (0.50) | CCR5TACR3TACR2TACR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010071575-A1 | QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF | ASTRAZENECA AB (SE) | 2010-06-24 | — | — | WO | disclosed |