Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 5/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 5/20 | 0.37 |
| ▸ | ITGAL | P20701 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7296204 | 0.90 | HSD11B1 (0.43) | ITGB3ITGAVITGB2ICAM1ITGAL | |
| SCHEMBL7298731 | 0.90 | HSD11B1 (0.43) | ITGB3ITGAVITGB2ICAM1ITGAL | |
| SCHEMBL7302874 | 0.82 | ROCK2 (0.41) | ALDH1A1POLBPKMHSD11B1ROCK2 | |
| SCHEMBL7295669 | 0.82 | ROCK2 (0.41) | ALDH1A1POLBPKMHSD11B1ROCK2 | |
| SCHEMBL7302866 | 0.77 | ALDH1A1 (0.36) | ITGB2ICAM1ITGALALDH1A1POLB | |
| SCHEMBL7294550 | 0.77 | ALDH1A1 (0.35) | ALDH1A1POLBL3MBTL1 | |
| SCHEMBL564101 | 0.69 | HSD11B1 (0.50) | ITGB2ICAM1ITGALALDH1A1POLB | |
| SCHEMBL563862 | 0.69 | HSD11B1 (0.50) | ITGB2ICAM1ITGALALDH1A1POLB | |
| SCHEMBL3565608 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL7291911 | 0.69 | ALOX15 (0.37) | ALDH1A1PKMROCK2 |
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-0439556-A4 | HETEROCYCLIC PEPTIDE RENIN INHIBITORS | — | 1991-10-30 | — | — | EP | disclosed |