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 | |
|---|---|---|---|---|
| SCHEMBL20076660 | 0.84 | CYP3A4 (0.40) | ALDH1A1CYP3A4 | |
| SCHEMBL12978557 | 0.81 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL19431564 | 0.79 | HTR2A (0.31) | — | |
| SCHEMBL1611653 | 0.74 | CYP1A2 (0.32) | ALDH1A1 | |
| SCHEMBL9124016 | 0.73 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL21885681 | 0.73 | HTR2A (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL8363460 | 0.71 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL20124424 | 0.71 | — | — | |
| SCHEMBL29403294 | 0.71 | CYP3A4 (0.41) | ALDH1A1CYP3A4 | |
| SCHEMBL477584 | 0.71 | CYP3A4 (0.41) | ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |