Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 7/20 | 0.67 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17896708 | 0.90 | CYP11B2 (0.68) | CYP11B2CYP11B1CYP3A4SSTR5 | |
| SCHEMBL17897047 | 0.84 | CYP11B2 (0.61) | CYP11B2CYP11B1CYP3A4PDE10A | |
| SCHEMBL463351 | 0.83 | CYP11B2 (0.67) | CYP11B2CYP11B1PDE10A | |
| SCHEMBL10175451 | 0.83 | CYP11B2 (0.63) | CYP11B2CYP11B1PDE10A | |
| SCHEMBL460501 | 0.83 | CYP11B2 (0.63) | CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL10175445 | 0.80 | CYP11B2 (1.00) | CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL17896706 | 0.76 | CYP11B2 (0.61) | CYP11B2CYP11B1PDE10A | |
| SCHEMBL10175449 | 0.76 | CYP11B2 (0.60) | CYP11B2CYP11B1PDE10A | |
| SCHEMBL10176205 | 0.75 | CYP11B2 (0.56) | CYP11B2CYP11B1 | |
| SCHEMBL10175459 | 0.75 | CYP11B2 (0.56) | CYP11B2CYP11B1PDE10A |
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 3 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 |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |