Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 19/20 | 0.67 |
| ▸ | CYP11B1 | P15538 | 16/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896682 | 0.82 | CYP11B2 (0.63) | CYP11B2CYP11B1CYP19A1ADRA2B | |
| SCHEMBL460518 | 0.80 | CYP11B1 (1.00) | CYP11B2CYP11B1CYP19A1ADRA2BADRB1 | |
| SCHEMBL17896590 | 0.75 | CYP11B2 (0.75) | CYP11B2CYP11B1 | |
| SCHEMBL459504 | 0.73 | CYP11B2 (0.56) | CYP11B2CYP11B1CYP19A1ADRA2B | |
| SCHEMBL10175337 | 0.72 | CYP11B2 (0.55) | CYP11B2CYP11B1CYP19A1ADRA2B | |
| SCHEMBL20338395 | 0.72 | CYP11B2 (1.00) | CYP11B2CYP11B1 | |
| SCHEMBL17883789 | 0.70 | CYP11B2 (0.82) | CYP11B2CYP11B1CYP19A1ADRA2BADRB1 | |
| SCHEMBL20338183 | 0.70 | CYP11B2 (1.00) | CYP11B2CYP11B1 | |
| SCHEMBL20338399 | 0.69 | CYP11B2 (0.69) | CYP11B2CYP11B1 | |
| SCHEMBL20337673 | 0.69 | CYP11B2 (0.64) | CYP11B2CYP11B1CYP19A1 |
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 4 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 |