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 | |
|---|---|---|---|---|
| SCHEMBL7069184 | 0.71 | AURKA (0.31) | AURKAKDR | |
| SCHEMBL630634 | 0.65 | HDAC6 (0.41) | AURKAKDR | |
| Hydrochloric Acid SCHEMBL7988951 | 0.63 | HDAC6 (0.40) | AURKAKDR | |
| SCHEMBL15828094 | 0.62 | NISCH (0.39) | — | |
| SCHEMBL3631373 | 0.60 | — | — | |
| SCHEMBL3873207 | 0.59 | MEN1 (0.31) | AURKAKDR | |
| SCHEMBL2968451 | 0.59 | AURKA (0.31) | AURKAKDR | |
| SCHEMBL9419852 | 0.59 | HDAC6 (0.57) | AURKAKDR | |
| SCHEMBL20077863 | 0.58 | — | — | |
| SCHEMBL18821909 | 0.57 | HDAC6 (0.45) | AURKAKDR |
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-2018081814-A1 | GRP94 SELECTIVE INHIBITORS AND USES THEREOF | UNIVERSITY OF KANSAS (US) | 2018-05-03 | — | — | WO | disclosed |