Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 11/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 10/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896600 | 0.90 | CYP11B2 (0.45) | CYP11B2CYP11B1CYP19A1ADRA2B | |
| SCHEMBL17896699 | 0.86 | PTGS2 (0.39) | CYP11B2CYP11B1PTGS2CYP19A1ADRA2B | |
| SCHEMBL17896703 | 0.84 | CYP11B1 (0.50) | CYP11B2CYP11B1PTGS2PDE2APDE10A | |
| SCHEMBL17896704 | 0.83 | CYP11B2 (0.49) | CYP11B2CYP11B1 | |
| SCHEMBL17896700 | 0.81 | CYP11B2 (0.62) | CYP11B2CYP11B1 | |
| SCHEMBL10175459 | 0.79 | CYP11B2 (0.56) | CYP11B2CYP11B1PTGS2CYP19A1ADRA2B | |
| SCHEMBL10175431 | 0.77 | CYP11B1 (0.42) | CYP11B2CYP11B1PTGS2CYP19A1ADRA2B | |
| SCHEMBL460559 | 0.77 | CYP11B2 (0.46) | CYP11B2CYP11B1CYP19A1PDE2APDE10A | |
| SCHEMBL17883792 | 0.77 | CYP11B2 (0.58) | CYP11B2CYP11B1CYP19A1ADRA2B | |
| SCHEMBL10176203 | 0.74 | CYP11B2 (0.69) | CYP11B2CYP11B1CYP19A1ADRA2BTDO2 |
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 2 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 |