Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 7/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL17896760 | 0.88 | CYP11B1 (0.52) | CYP11B1CYP11B2CYP17A1ACSS2ALDH1A1 | |
| SCHEMBL17896718 | 0.85 | CYP11B2 (0.56) | CYP11B1CYP11B2CYP19A1ADRA2BMAPT | |
| SCHEMBL10175433 | 0.85 | CYP11B1 (0.53) | CYP11B1CYP11B2ALOX5APPDE2APDE10A | |
| SCHEMBL460705 | 0.85 | ACSS2 (0.45) | CYP11B1CYP11B2ACSS2ALDH1A1SMN1; SMN2 | |
| SCHEMBL17896758 | 0.82 | CYP11B2 (0.65) | CYP11B1CYP11B2SMN1; SMN2CYP19A1ADRA2B | |
| SCHEMBL17896665 | 0.82 | KDM4E (0.52) | CYP11B1CYP11B2TLR7ALDH1A1CYP19A1 | |
| SCHEMBL17896619 | 0.82 | NPC1 (0.51) | CYP11B1CYP11B2TLR7ALDH1A1SMN1; SMN2 | |
| SCHEMBL459296 | 0.81 | ACSS2 (0.45) | CYP11B1CYP11B2ACSS2ALDH1A1SMN1; SMN2 | |
| SCHEMBL10175817 | 0.81 | RAD51 (0.60) | CYP11B1CYP11B2CYP17A1ACSS2ALDH1A1 | |
| SCHEMBL17896669 | 0.80 | HDAC1 (0.50) | CYP11B1CYP11B2TLR7CYP19A1ADRA2B |
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 |