Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 17/20 | 0.83 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.83 |
| ▸ | HTR2B | P41595 | 1/20 | 0.65 |
| ▸ | HTR6 | P50406 | 1/20 | 0.65 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.55 |
| ▸ | PRKACA | P17612 | 1/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175422 | 0.91 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP17A1 | |
| SCHEMBL17896758 | 0.83 | CYP11B2 (0.65) | CYP11B2CYP11B1HTR2BHTR6PRKACA | |
| SCHEMBL10176229 | 0.82 | CYP11B2 (0.74) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL460526 | 0.82 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL10175817 | 0.82 | RAD51 (0.60) | CYP11B2CYP11B1RAD51CYP17A1CYP19A1 | |
| SCHEMBL17896675 | 0.81 | CYP11B2 (0.63) | CYP11B2CYP11B1HTR2BHTR6RPS6KB1 | |
| SCHEMBL10175133 | 0.81 | CYP11B2 (0.68) | CYP11B2CYP11B1HTR2BHTR6 | |
| SCHEMBL10175446 | 0.80 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6 | |
| SCHEMBL17896588 | 0.80 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6RPS6KB1 | |
| SCHEMBL10175593 | 0.78 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |