Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 18/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 13/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16552583 | 0.83 | NR1H2 (0.35) | — | |
| SCHEMBL3512242 | 0.82 | APP (0.33) | — | |
| SCHEMBL10175092 | 0.82 | CYP11B2 (0.38) | CYP11B2CYP11B1CYP19A1CYP2C9 | |
| SCHEMBL3511588 | 0.82 | APP (0.33) | — | |
| SCHEMBL3512146 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL434088 | 0.78 | APP (0.40) | CYP11B2CYP11B1CYP2C9 | |
| SCHEMBL30591958 | 0.78 | APP (0.40) | CYP11B2CYP11B1CYP2C9 | |
| SCHEMBL16918487 | 0.76 | CES2 (0.38) | HSD11B1 | |
| SCHEMBL15459379 | 0.75 | PGK1 (0.37) | HSD11B1 | |
| SCHEMBL433999 | 0.74 | CYP11B2 (0.44) | CYP11B2CYP11B1CYP19A1CYP2C9HSD11B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| EP-2595482-A1 | ALDOSTERONE SYNTHASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |