Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 13/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 13/20 | 0.38 |
| ▸ | METAP2 | P50579 | 2/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | DOCK5 | Q9H7D0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22355757 | 0.88 | ITGB3 (0.41) | ITGB3ITGA2BHDAC11 | |
| SCHEMBL22355671 | 0.86 | ITGB3 (0.37) | ITGB3ITGA2BLIPE | |
| SCHEMBL22355676 | 0.81 | ROCK2 (0.43) | METAP2 | |
| SCHEMBL29443012 | 0.79 | HDAC11 (0.38) | METAP2HDAC11LIPEDOCK5 | |
| SCHEMBL21490366 | 0.79 | HDAC11 (0.38) | METAP2HDAC11LIPEDOCK5 | |
| SCHEMBL24742882 | 0.78 | ITGB3 (0.44) | ITGB3ITGA2BLIPE | |
| SCHEMBL24742787 | 0.77 | HSD11B1 (0.42) | ITGB3ITGA2B | |
| SCHEMBL24743240 | 0.76 | ITGB3 (0.40) | ITGB3ITGA2BLIPE | |
| SCHEMBL22355680 | 0.76 | BACE1 (0.33) | HDAC11 | |
| SCHEMBL21084147 | 0.75 | HDAC11 (0.47) | ITGB3ITGA2BMETAP2HDAC11 |
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-3481817-B1 | SPIROLACTAMS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | disclosed |