Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 20/20 | 0.80 |
| ▸ | CYP11B2 | P19099 | 20/20 | 0.80 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL20355224 | 0.90 | CYP11B2 (0.79) | CYP11B1CYP11B2CYP19A1ADRA2BCYP3A4 | |
| SCHEMBL17896636 | 0.89 | CYP11B2 (1.00) | CYP11B1CYP11B2CYP19A1ADRA2BCYP3A4 | |
| SCHEMBL17896639 | 0.87 | CYP11B2 (0.79) | CYP11B1CYP11B2CYP19A1ADRA2BCYP3A4 | |
| SCHEMBL20337617 | 0.86 | CYP11B2 (0.81) | CYP11B1CYP11B2CYP19A1ADRA2BCYP3A4 | |
| SCHEMBL31411945 | 0.86 | CYP11B2 (0.81) | CYP11B1CYP11B2CYP19A1ADRA2BCYP3A4 | |
| SCHEMBL17896637 | 0.86 | CYP11B1 (0.83) | CYP11B1CYP11B2CYP19A1ADRA2BCYP3A4 | |
| SCHEMBL10175341 | 0.86 | CYP11B1 (0.77) | CYP11B1CYP11B2CYP19A1ADRA2B | |
| SCHEMBL10175340 | 0.84 | CYP11B2 (0.83) | CYP11B1CYP11B2CYP19A1ADRA2B | |
| SCHEMBL460451 | 0.82 | CYP11B2 (1.00) | CYP11B1CYP11B2CYP19A1ADRA2B | |
| SCHEMBL10175347 | 0.81 | CYP11B2 (0.74) | CYP11B1CYP11B2CYP19A1ADRA2B |
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 |