Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.49 |
| ▸ | CA1 | P00915 | 6/20 | 0.49 |
| ▸ | NPY1R | P25929 | 5/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL8112857 | 0.90 | CA2 (0.52) | CA2CA1NPY1RCTSKCTSS | |
| SCHEMBL8120447 | 0.90 | CA2 (0.52) | CA2CA1NPY1RCTSKCXCR3 | |
| SCHEMBL8120925 | 0.89 | CA2 (0.51) | CA2CA1NPY1RCTSKCXCR3 | |
| SCHEMBL8114815 | 0.88 | CA2 (0.53) | CA2CA1NPY1RCTSKCXCR3 | |
| SCHEMBL8126119 | 0.87 | CA2 (0.49) | CA2CA1NPY1RCTSKCXCR3 | |
| SCHEMBL5966482 | 0.84 | CTSS (0.51) | CA2CA1NPY1RCTSKCTSS | |
| SCHEMBL7037362 | 0.84 | NPY1R (0.50) | NPY1R | |
| SCHEMBL8112878 | 0.83 | CA2 (0.50) | CA2CA1NPY1RCTSKCXCR3 | |
| SCHEMBL7042432 | 0.83 | NPY1R (0.59) | NPY1R | |
| SCHEMBL8112704 | 0.82 | CA2 (0.46) | CA2CA1NPY1RCTSKCXCR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885186-B1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | THOMAE GMBH DR K (DE) | 2003-03-26 | — | — | EP | disclosed |