Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.42 |
| ▸ | CASP3 | P42574 | 8/20 | 0.41 |
| ▸ | GNPAT | O15228 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 2/20 | 0.39 |
| ▸ | CASP2 | P42575 | 3/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL6558747 | 0.89 | BACE1 (0.42) | CASP1CTSDOPRD1PSENENBACE1 | |
| SCHEMBL6558448 | 0.87 | PSENEN (0.39) | CASP1CASP3CTSDPSENEN | |
| SCHEMBL6558839 | 0.86 | PSENEN (0.36) | CASP1CASP3CTSDCASP2OPRD1 | |
| SCHEMBL6559665 | 0.86 | PSENEN (0.43) | CASP1CTSDPSENEN | |
| SCHEMBL6559645 | 0.86 | ALDH1A1 (0.40) | CTSDPSENEN | |
| SCHEMBL6560709 | 0.83 | PSENEN (0.41) | CASP1CTSDPSENEN | |
| SCHEMBL6558465 | 0.83 | PSENEN (0.41) | CASP1CTSDPSENEN | |
| SCHEMBL30153189 | 0.83 | GNPAT (0.49) | CASP1GNPATOPRD1BACE1 | |
| SCHEMBL31162635 | 0.82 | GNPAT (0.51) | CASP1CASP3GNPATCTSDCASP2 | |
| SCHEMBL6558973 | 0.82 | PSENEN (0.36) | CASP1CASP3CASP2PSENENBACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948523-B1 | PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | BOEHRINGER INGELHEIM CA LTD (CA) | 2004-03-17 | — | — | EP | claimed |
| US-6291640-B1 | OLIGOPEPTIDES; SOLID PHASE SYNTHESIS | BOEHRINGER INGELHEIM LTD. (CA) | 2001-09-18 | — | — | US | claimed |
| EP-0948523-B1 | PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | BOEHRINGER INGELHEIM CA LTD (CA) | 2004-03-17 | — | — | EP | disclosed |
| US-6291640-B1 | OLIGOPEPTIDES; SOLID PHASE SYNTHESIS | BOEHRINGER INGELHEIM LTD. (CA) | 2001-09-18 | — | — | US | disclosed |