Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 14/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175459 | 0.89 | CYP11B2 (0.56) | CYP11B2CYP11B1CYP19A1ADRA2BADRB1 | |
| SCHEMBL17896705 | 0.86 | CYP11B2 (0.54) | CYP11B2CYP11B1CYP19A1ADRA2BADRB1 | |
| SCHEMBL17897057 | 0.84 | CYP11B2 (0.52) | CYP11B2CYP11B1 | |
| SCHEMBL17896707 | 0.84 | CYP11B2 (0.52) | CYP11B2CYP11B1CYP19A1ADRA2BADRB1 | |
| SCHEMBL10175455 | 0.83 | CYP11B2 (0.51) | CYP11B2CYP11B1TLR7PIK3CG | |
| SCHEMBL10176201 | 0.82 | CYP11B2 (0.64) | CYP11B2CYP11B1CYP19A1ADRA2BADRB1 | |
| SCHEMBL17896770 | 0.81 | CYP11B2 (0.40) | CYP11B2CYP11B1CYP19A1ADRA2BTLR7 | |
| SCHEMBL10175447 | 0.81 | CYP11B2 (0.60) | CYP11B2CYP11B1 | |
| SCHEMBL17896600 | 0.80 | CYP11B2 (0.45) | CYP11B2CYP11B1CYP19A1ADRA2BTLR7 | |
| SCHEMBL463000 | 0.78 | CYP11B2 (0.41) | CYP11B2CYP11B1CYP19A1ADRA2BGRIN1 |
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 |