Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.30 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682025 | 0.86 | STING1 (0.36) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5268319 | 0.84 | PDE4A (0.38) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5264345 | 0.81 | PDE4A (0.37) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5265250 | 0.79 | MAPT (0.47) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL5620025 | 0.76 | SIRT1 (0.40) | PDE4APDE4BPDE4CPDE4DSLC6A4 | |
| SCHEMBL8165225 | 0.69 | DYRK1A (0.36) | PDE4APDE4BPDE4CPDE4DMEN1 | |
| SCHEMBL6670685 | 0.68 | CYP3A4 (0.41) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8601015 | 0.67 | MEN1 (0.44) | CCR5MEN1KMT2ASLC6A4C5AR1 | |
| SCHEMBL9778645 | 0.67 | PDE4A (0.44) | CCR5PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9103638 | 0.67 | CYP3A4 (0.46) | PDE4APDE4BPDE4CPDE4DMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6156912-A | 88, 66, and 68 catechin and epicatechin dimers and methods for their preparation | MARS, INCORPORATED (US) | 2000-12-05 | — | — | US | disclosed |