Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.32 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.32 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | LIPE | Q05469 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22355671 | 0.83 | ITGB3 (0.37) | ITGB3ITGA2BLIPE | |
| SCHEMBL29443013 | 0.81 | ROCK2 (0.40) | OPRM1OPRK1OPRL1BACE1ALDH1A1 | |
| SCHEMBL21490353 | 0.81 | ROCK2 (0.40) | OPRM1OPRK1OPRL1BACE1ALDH1A1 | |
| SCHEMBL22355681 | 0.77 | PPIB (0.37) | ITGB3ITGA2BTP53HPGDKDM4E | |
| SCHEMBL22355668 | 0.77 | ROCK2 (0.42) | ALDH1A1ALOX15GAAKDM4EMAPT | |
| SCHEMBL29442948 | 0.75 | ROCK2 (0.48) | — | |
| SCHEMBL21490346 | 0.75 | ROCK2 (0.48) | — | |
| SCHEMBL24742760 | 0.72 | L3MBTL1 (0.48) | ITGB3ITGA2BALDH1A1TP53HPGD | |
| SCHEMBL22355673 | 0.71 | ITGB3 (0.38) | ITGB3ITGA2BLIPE | |
| SCHEMBL22355757 | 0.71 | ITGB3 (0.41) | ITGB3ITGA2B |
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 |