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 | |
|---|---|---|---|---|
| SCHEMBL17786998 | 1.00 | ALDH1A1 (0.34) | ALDH1A1APEX1 | |
| SCHEMBL17786858 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL17786859 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL12997966 | 0.81 | CYP2C9 (0.30) | — | |
| SCHEMBL7744736 | 0.81 | CYP2C9 (0.30) | — | |
| SCHEMBL18726318 | 0.81 | CYP2C9 (0.30) | — | |
| SCHEMBL3328894 | 0.80 | CYP2C9 (0.45) | ALDH1A1 | |
| SCHEMBL3328892 | 0.80 | CYP2C9 (0.45) | ALDH1A1 | |
| SCHEMBL21355685 | 0.79 | EGLN1 (0.46) | — | |
| SCHEMBL1902372 | 0.79 | CES2 (0.44) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2016083816-A1 | N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2016-06-02 | — | — | WO | disclosed |