Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 7/20 | 0.44 |
| ▸ | CASP2 | P42575 | 7/20 | 0.44 |
| ▸ | CALCRL | Q16602 | 3/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | CMA1 | P23946 | 3/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | GRB2 | P62993 | 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 | |
|---|---|---|---|---|
| SCHEMBL7728224 | 0.95 | CASP3 (0.43) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7735845 | 0.95 | CALCRL (0.45) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7724765 | 0.93 | MALT1 (0.43) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7736353 | 0.92 | CASP3 (0.41) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7735850 | 0.92 | CMA1 (0.43) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7736050 | 0.92 | CASP3 (0.41) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7736683 | 0.92 | CASP3 (0.41) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7725308 | 0.91 | CMA1 (0.43) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7736381 | 0.91 | MALT1 (0.43) | CASP3CASP2CALCRLELANECMA1 | |
| SCHEMBL7735915 | 0.90 | MALT1 (0.42) | CASP3CASP2CALCRLELANECMA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6800434-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION | 2004-10-05 | — | — | US | disclosed |
| US-6800434-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION | 2004-10-05 | — | — | US | disclosed |