Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8291342 | 0.92 | GRM2 (0.31) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL7380804 | 0.84 | CYP1A2 (0.48) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL8577271 | 0.84 | CYP1A2 (0.48) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL26114376 | 0.84 | CYP1A2 (0.48) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL10270050 | 0.82 | GRM2 (0.35) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL26114807 | 0.82 | GRM2 (0.35) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL18129434 | 0.82 | BACE1 (0.42) | — | |
| SCHEMBL7018907 | 0.82 | BACE1 (0.42) | — | |
| SCHEMBL18135074 | 0.82 | BACE1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL22468429 | 0.80 | BACE1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385870-B1 | PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2010-03-17 | — | — | EP | disclosed |
| EP-1467989-B1 | PROLINE COMPOUNDS AS NS3-SERINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF HEPATITIS C VIRUS INFECTION | SCHERING CORP (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |
| WO-2005021584-A2 | NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-03-10 | — | — | WO | disclosed |
| WO-2003062265-A2 | NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2003-07-31 | — | — | WO | disclosed |