Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24934157 | 0.84 | RORC (0.35) | RORC | |
| SCHEMBL30163243 | 0.79 | ROCK1 (0.35) | RORC | |
| SCHEMBL24933540 | 0.73 | RORC (0.33) | RORC | |
| SCHEMBL30163167 | 0.72 | RXRA (0.33) | RORC | |
| SCHEMBL24933525 | 0.68 | RORC (0.33) | RORC | |
| SCHEMBL24934197 | 0.64 | RORC (0.33) | RORC | |
| SCHEMBL24934261 | 0.61 | DDR2 (0.32) | RORCCYP3A4 | |
| SCHEMBL19914812 | 0.59 | HTR2A (0.33) | — | |
| SCHEMBL24934263 | 0.57 | ALDH1A1 (0.38) | CYP3A4 | |
| Formic Acid SCHEMBL516509 | 0.57 | TTK (0.43) | — |
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 |