Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RGS12 | O14924 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL14944685 | 0.87 | TLR7 (0.33) | TLR7 | |
| SCHEMBL14944729 | 0.80 | ALDH1A1 (0.32) | TLR7ADORA3ADORA2AALDH1A1THRB | |
| SCHEMBL19423858 | 0.79 | CCR5 (0.31) | TLR7ALDH1A1THRB | |
| SCHEMBL20343752 | 0.76 | ADORA2A (0.39) | TLR7ADORA3ADORA2AMAPK1ADORA1 | |
| SCHEMBL14944653 | 0.76 | DRD2 (0.31) | ADORA3ADORA2AALDH1A1MAPK1MAPT | |
| SCHEMBL28852897 | 0.75 | HSP90AA1 (0.40) | TLR7KDM4EALDH1A1THRBTSHR | |
| SCHEMBL14944688 | 0.72 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL20343756 | 0.69 | TLR7 (0.41) | TLR7ALDH1A1MEN1KMT2A | |
| SCHEMBL4144591 | 0.69 | HPRT1 (0.50) | TYMS | |
| SCHEMBL14944686 | 0.66 | TLR7 (0.33) | TLR7ADORA1 |
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-2013068438-A1 | PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN R&D IRELAND (IE) | 2013-05-16 | — | — | WO | disclosed |