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 | |
|---|---|---|---|---|
| SCHEMBL452847 | 0.83 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL2340481 | 0.82 | ALDH1A1 (0.35) | ALDH1A1CYP3A4 | |
| SCHEMBL8530619 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL10606453 | 0.79 | ALDH1A1 (0.35) | ALDH1A1CYP3A4 | |
| SCHEMBL571423 | 0.74 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL302555 | 0.74 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL3890936 | 0.73 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL31347765 | 0.72 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL17302381 | 0.72 | CA1 (0.34) | ALDH1A1 | |
| SCHEMBL7763834 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0849268-B1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 2001-10-10 | — | — | EP | disclosed |
| EP-0849268-A1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 1998-06-24 | — | — | EP | disclosed |