Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 5/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7729363 | 0.97 | CALCRL (0.44) | CALCRLKEAP1SLC6A2PTPN1CASP3 | |
| SCHEMBL7736683 | 0.96 | CASP3 (0.41) | CALCRLKEAP1CASP3CASP2MALT1 | |
| SCHEMBL7736353 | 0.96 | CASP3 (0.41) | CALCRLKEAP1CASP3CASP2MALT1 | |
| SCHEMBL7736050 | 0.96 | CASP3 (0.41) | CALCRLKEAP1CASP3CASP2MALT1 | |
| SCHEMBL7735915 | 0.95 | MALT1 (0.42) | CALCRLKEAP1CASP3CASP2MALT1 | |
| SCHEMBL7727913 | 0.93 | F2 (0.41) | CALCRLPTPN1CASP3CASP2MALT1 | |
| SCHEMBL7739115 | 0.93 | KEAP1 (0.39) | CALCRLKEAP1PTPN1CASP3CASP2 | |
| SCHEMBL7736400 | 0.93 | CALCRL (0.44) | CALCRLCASP3CASP2MALT1CMA1 | |
| SCHEMBL7736573 | 0.93 | CAPN1 (0.40) | CALCRLKEAP1PTPN1CASP3CASP2 | |
| SCHEMBL7729300 | 0.93 | CALCRL (0.44) | CALCRLCASP3CASP2MALT1CMA1 |
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 |