Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 19/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 16/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL428457 | 0.91 | CYP11B2 (0.71) | CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B | |
| SCHEMBL431913 | 0.87 | CYP11B2 (0.67) | CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B | |
| SCHEMBL17896632 | 0.85 | HTR2B (0.62) | CYP11B2CYP11B1CYP3A4CYP19A1HTR2B | |
| SCHEMBL459587 | 0.84 | CYP11B2 (0.63) | CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B | |
| SCHEMBL17896724 | 0.83 | CYP11B2 (0.49) | CYP11B2CYP11B1CYP3A4CYP19A1ADRA2B | |
| SCHEMBL17896652 | 0.79 | CYP11B2 (0.53) | CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL17896698 | 0.79 | CYP11B2 (0.60) | CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL10175110 | 0.79 | CYP11B2 (0.62) | CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL433566 | 0.78 | RPS6KA5 (0.49) | CYP11B2CYP11B1HTR2C | |
| SCHEMBL460533 | 0.77 | CYP11B2 (0.71) | CYP11B2CYP11B1CYP3A4CYP19A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595482-A1 | ALDOSTERONE SYNTHASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-05-29 | — | — | EP | claimed |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | claimed |
| 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 |