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 | |
|---|---|---|---|---|
| SCHEMBL1578456 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP3A4 | |
| SCHEMBL8168474 | 0.83 | ALDH1A1 (0.35) | ALDH1A1CYP3A4 | |
| SCHEMBL192327 | 0.83 | — | — | |
| SCHEMBL896571 | 0.81 | ALDH1A1 (0.54) | ALDH1A1 | |
| SCHEMBL8156464 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4 | |
| Methane SCHEMBL10579566 | 0.79 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL19215804 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP3A4 | |
| SCHEMBL9440091 | 0.77 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL28095142 | 0.76 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL6654452 | 0.76 | ALDH1A1 (0.48) | ALDH1A1 |
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-0976723-A2 | A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition | Daicel Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |