Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 7/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | SSTR5 | P35346 | 4/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896720 | 0.90 | CYP11B1 (0.43) | CYP11B1CYP11B2PDE10APDE2ACYP19A1 | |
| SCHEMBL10175435 | 0.79 | MEN1 (0.49) | CYP11B1CYP11B2PDE10APDE2A | |
| SCHEMBL10176203 | 0.77 | CYP11B2 (0.69) | CYP11B1CYP11B2TDO2CYP19A1ADRA2B | |
| SCHEMBL17896702 | 0.77 | CYP11B2 (0.41) | CYP11B1CYP11B2PDE10APDE2APTGS2 | |
| SCHEMBL17883792 | 0.77 | CYP11B2 (0.58) | CYP11B1CYP11B2CYP19A1ADRA2B | |
| SCHEMBL17896722 | 0.73 | PDE10A (0.54) | CYP11B1CYP11B2PDE10APDE2A | |
| SCHEMBL17896721 | 0.72 | PDE10A (0.66) | CYP11B1CYP11B2PDE10APDE2A | |
| SCHEMBL463000 | 0.70 | CYP11B2 (0.41) | CYP11B1CYP11B2CYP19A1ADRA2B | |
| SCHEMBL10175124 | 0.69 | CYP11B2 (0.51) | CYP11B1CYP11B2CYP19A1ADRA2B | |
| SCHEMBL17896723 | 0.69 | CYP11B2 (0.70) | CYP11B1CYP11B2CYP19A1ADRA2B |
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 |