Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 10/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 10/20 | 0.53 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175785 | 0.90 | CYP11B1 (0.63) | CYP11B1CYP11B2ALOX5APPTGS2GRM5 | |
| SCHEMBL17896760 | 0.88 | CYP11B1 (0.52) | CYP11B1CYP11B2ALOX5APPTGS2PDE2A | |
| SCHEMBL17896718 | 0.85 | CYP11B2 (0.56) | CYP11B1CYP11B2CA12CA1CA2 | |
| SCHEMBL17896664 | 0.85 | ALOX5AP (0.54) | CYP11B1CYP11B2ALOX5APPTGS2PDE2A | |
| SCHEMBL17896621 | 0.85 | SMN1; SMN2 (0.49) | CYP11B1CYP11B2ALOX5APPTGS2PDE2A | |
| SCHEMBL10175815 | 0.85 | CYP11B1 (0.48) | CYP11B1CYP11B2ALOX5APPDE2APDE10A | |
| SCHEMBL17896676 | 0.84 | CYP11B1 (0.68) | CYP11B1CYP11B2ALOX5APPTGS2PDE2A | |
| SCHEMBL17896627 | 0.84 | PTGS2 (0.51) | CYP11B1CYP11B2ALOX5APPTGS2PDE2A | |
| SCHEMBL10175434 | 0.82 | CYP11B2 (0.76) | CYP11B1CYP11B2 | |
| SCHEMBL17896642 | 0.81 | ALOX5AP (0.46) | CYP11B1CYP11B2ALOX5APPTGS2PDE2A |
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 |