Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL9549356 | 0.76 | PTGS1 (0.32) | CA1CA2 | |
| SCHEMBL4679449 | 0.71 | HSD11B1 (0.36) | — | |
| SCHEMBL9649135 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL5133900 | 0.70 | PARP1 (0.34) | CA1CA2 | |
| SCHEMBL5290390 | 0.70 | PARP1 (0.34) | CA1CA2 | |
| SCHEMBL1697644 | 0.69 | PARP1 (0.36) | CA1CA2 | |
| SCHEMBL30274390 | 0.67 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL23781284 | 0.66 | PARP1 (0.34) | CA1CA2 | |
| SCHEMBL13816705 | 0.66 | PARP1 (0.34) | CA1CA2 | |
| SCHEMBL25680741 | 0.66 | MAOB (0.36) | CA1CA2 |
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-3205639-A1 | PROTECTING-GROUP INTRODUCING AGENT FOR HYDROXY GROUP AND/OR MERCAPTO GROUP | Kyushu University, National University Corporation (JP) | 2017-08-16 | — | — | EP | disclosed |