Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.38 |
| ▸ | HIPK3 | Q9H422 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
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 | 0.84 | CYP11B1 (0.52) | ACSS2ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL460705 | 0.81 | ACSS2 (0.45) | ACSS2ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL10175815 | 0.81 | CYP11B1 (0.48) | ACSS2ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL10175817 | 0.77 | RAD51 (0.60) | ACSS2ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL17896762 | 0.76 | BRD4 (0.48) | ACSS2P2RX3 | |
| SCHEMBL10175820 | 0.76 | MEN1 (0.59) | ACSS2ALDH1A1SMN1; SMN2TDP1MAPT | |
| SCHEMBL10175784 | 0.74 | CYP11B1 (0.52) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL17896664 | 0.73 | ALOX5AP (0.54) | ALDH1A1SMN1; SMN2CYP11B1CYP11B2TDP1 | |
| SCHEMBL17896621 | 0.73 | SMN1; SMN2 (0.49) | ACSS2ALDH1A1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL10175433 | 0.73 | CYP11B1 (0.53) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 |
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 5 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 |
| EP-2595482-A1 | ALDOSTERONE SYNTHASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |