Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 19/20 | 1.00 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.66 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL459263 | 0.85 | CYP11B2 (0.74) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL10175593 | 0.80 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL10175596 | 0.80 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL17896588 | 0.79 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6 | |
| SCHEMBL460209 | 0.76 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL460526 | 0.76 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL460451 | 0.76 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL10175592 | 0.73 | CYP11B2 (0.76) | CYP11B2CYP11B1HTR2BHTR6 | |
| SCHEMBL17897063 | 0.73 | CYP11B2 (1.00) | CYP11B2CYP11B1HTR2BHTR6CYP19A1 | |
| SCHEMBL459223 | 0.72 | CYP11B2 (0.74) | 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 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 |