Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23526333 | 0.90 | NQO2 (0.46) | NQO2IDO1SCN9AGAALMNA | |
| SCHEMBL18685091 | 0.84 | KDM4A (0.48) | NQO2SCN9ANAMPTCA1POLB | |
| SCHEMBL29845423 | 0.82 | NQO2 (0.61) | NQO2IDO1SCN9ALMNANAMPT | |
| SCHEMBL18685355 | 0.79 | KDM4A (0.44) | NQO2SCN9ANAMPTCA1POLB | |
| SCHEMBL25306120 | 0.79 | KDM4A (0.44) | NQO2SCN9ANAMPTCA1CA2 | |
| SCHEMBL5729170 | 0.78 | CTSS (0.54) | NQO2IDO1LMNANAMPTCA1 | |
| SCHEMBL3127618 | 0.78 | KDM4A (0.43) | NQO2IDO1SCN9ANAMPTCA1 | |
| SCHEMBL21987975 | 0.78 | HDAC1 (0.46) | NQO2SCN9ANAMPTCA1CA2 | |
| SCHEMBL29076001 | 0.78 | POLB (0.44) | SCN9ALMNANAMPTNPSR1POLB | |
| SCHEMBL29473242 | 0.78 | KDM4A (0.43) | NQO2IDO1SCN9ANAMPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| WO-2005021584-A2 | NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-03-10 | — | — | WO | disclosed |