Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 10/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 4/20 | 0.39 |
| ▸ | CTRC | Q99895 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8225015 | 0.91 | ACE (0.49) | ITGB3ITGA2BF2PRSS1HDAC1 | |
| SCHEMBL8005012 | 0.90 | ITGB3 (0.45) | ITGB3ITGA2BF2PRSS1HDAC1 | |
| SCHEMBL8223113 | 0.88 | ITGB3 (0.43) | ITGB3ITGA2BF2PRSS1HDAC1 | |
| SCHEMBL13924274 | 0.88 | HDAC1 (0.46) | ITGB3ITGA2BF2PRSS1HDAC1 | |
| SCHEMBL12784960 | 0.87 | ITGB3 (0.47) | ITGB3ITGA2BF2PRSS1HDAC1 | |
| SCHEMBL7409155 | 0.86 | CTSK (0.50) | ITGB3ITGA2BF2PRSS1ACE | |
| SCHEMBL7409158 | 0.86 | CTSK (0.50) | ITGB3ITGA2BF2PRSS1ACE | |
| SCHEMBL12771027 | 0.85 | HDAC4 (0.41) | ITGB3ITGA2BF2PRSS1HDAC1 | |
| SCHEMBL8273133 | 0.85 | HDAC1 (0.41) | ITGB3ITGA2BF2PRSS1HDAC1 | |
| SCHEMBL883194 | 0.84 | ITGB3 (0.44) | ITGB3ITGA2BF2PRSS1HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2009080542-A1 | PROCESS FOR THE PREPARATION OF A MACROCYCLE | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| WO-2008057873-A2 | INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |