Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | Q9HBH1 | 3/20 | 0.34 | |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | RRM1 | P23921 | 6/20 | 0.33 |
| ▸ | RRM2 | P31350 | 6/20 | 0.33 |
| ▸ | RRM2B | Q7LG56 | 6/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6558829 | 0.88 | MMP1 (0.32) | PDFMMP13RRM1RRM2RRM2B | |
| SCHEMBL6558487 | 0.87 | PDF (0.32) | PDFMMP13RRM1RRM2RRM2B | |
| SCHEMBL6558461 | 0.85 | RRM1 (0.33) | PDFRRM1RRM2RRM2B | |
| SCHEMBL6558836 | 0.83 | MMP13 (0.37) | CASP1MMP13 | |
| SCHEMBL6558459 | 0.81 | ADAM17 (0.35) | CASP1RRM1RRM2RRM2B | |
| SCHEMBL6559774 | 0.80 | RRM1 (0.33) | RRM1RRM2RRM2B | |
| SCHEMBL6558498 | 0.79 | PDF (0.35) | CASP1PDF | |
| SCHEMBL6559675 | 0.79 | PDF (0.31) | PDFMMP13RRM1RRM2RRM2B | |
| SCHEMBL6558880 | 0.77 | REN (0.32) | HDAC1HDAC6 | |
| SCHEMBL6558475 | 0.76 | PSENEN (0.32) | CASP1 |
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 |