Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADA | P00813 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19536251 | 0.84 | ADORA2A (0.53) | SLC29A1PDE4DPDE3AADORA2AADA | |
| SCHEMBL731577 | 0.84 | ADORA2A (0.53) | SLC29A1PDE4DPDE3AADORA2AADA | |
| SCHEMBL19536253 | 0.84 | ADORA2A (0.53) | SLC29A1PDE4DPDE3AADORA2AADA | |
| SCHEMBL474927 | 0.79 | ADK (0.50) | ADORA2APRMT5WDR77 | |
| SCHEMBL12150829 | 0.79 | ADK (0.50) | ADORA2APRMT5WDR77 | |
| SCHEMBL12154679 | 0.79 | ADK (0.50) | ADORA2APRMT5WDR77 | |
| SCHEMBL12300524 | 0.79 | ADK (0.50) | ADORA2APRMT5WDR77 | |
| SCHEMBL12278609 | 0.77 | PDE3A (0.71) | SLC29A1PDE4DPDE3ALMNAMTOR | |
| SCHEMBL21007072 | 0.76 | ADORA2A (0.40) | SLC29A1PDE4DPDE3AADORA2AADA | |
| SCHEMBL12154906 | 0.74 | ADORA2A (0.39) | ADORA2APRMT5WDR77 |
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-1879607-A2 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006119061-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2006-11-09 | — | — | WO | disclosed |