Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22355681 | 0.84 | PPIB (0.37) | ITGB3ITGA2B | |
| SCHEMBL22355757 | 0.81 | ITGB3 (0.41) | HDAC8HDAC6ITGB3ITGA2BBCAT2 | |
| SCHEMBL21490352 | 0.78 | AVPR1A (0.38) | HDAC8HDAC6 | |
| SCHEMBL21490373 | 0.76 | EGLN1 (0.42) | EPHX2 | |
| SCHEMBL24743240 | 0.71 | ITGB3 (0.40) | ITGB3ITGA2B | |
| SCHEMBL24742759 | 0.71 | ITGB3 (0.50) | ITGB3ITGA2B | |
| SCHEMBL24742882 | 0.70 | ITGB3 (0.44) | ITGB3ITGA2B | |
| SCHEMBL21490361 | 0.70 | ROCK2 (0.46) | — | |
| SCHEMBL22355673 | 0.70 | ITGB3 (0.38) | ITGB3ITGA2B | |
| SCHEMBL29443023 | 0.70 | ROCK2 (0.46) | — |
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 |