Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 8/20 | 0.53 |
| ▸ | CTSK | P43235 | 6/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | ACE | P12821 | 2/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 7/20 | 0.46 |
| ▸ | PPARG | P37231 | 6/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094300 | 1.00 | CTSS (0.53) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL23722980 | 0.89 | CTSS (0.60) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL16447966 | 0.86 | ITGA4 (0.48) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL4997014 | 0.85 | PPARA (0.58) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL4997003 | 0.85 | PPARA (0.58) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL27138772 | 0.85 | CTSS (0.54) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL27149947 | 0.85 | CTSS (0.54) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL5321402 | 0.84 | CTSS (0.53) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL12737973 | 0.84 | CTSS (0.53) | CTSSCTSKPTPN1ACEITGB3 | |
| SCHEMBL5845049 | 0.84 | CTSS (0.55) | CTSSCTSKPTPN1ACEITGB3 |
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-1556362-B1 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-0763026-B1 | GASTRIN AND CCK ANTAGONISTS | BLACK JAMES FOUNDATION (GB) | 2003-03-26 | — | — | EP | disclosed |
| EP-0763026-A1 | GASTRIN AND CCK ANTAGONISTS | JAMES BLACK FOUNDATION LIMITED (GB) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995032949-A1 | GASTRIN AND CCK ANTAGONISTS | JAMES BLACK FOUNDATION LIMITED (GB) | 1995-12-07 | — | — | WO | disclosed |