Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 5/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | KCNK13 | Q9HB14 | 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 | |
|---|---|---|---|---|
| SCHEMBL17896589 | 0.87 | CYP11B2 (0.51) | RPS6KA5CYP11B2CYP11B1KDM4ENLRP3 | |
| SCHEMBL17896650 | 0.82 | PTGER4 (0.43) | RPS6KA5CYP11B2CYP11B1KDM4EL3MBTL1 | |
| SCHEMBL460502 | 0.79 | CYP11B2 (0.56) | RPS6KA5CYP11B2CYP11B1KDM4EMAPT | |
| SCHEMBL433746 | 0.78 | CYP11B2 (0.60) | CYP11B2CYP11B1HTR2C | |
| SCHEMBL10175594 | 0.74 | CYP11B2 (0.81) | RPS6KA5CYP11B2CYP11B1KDM4EMAPT | |
| SCHEMBL10175599 | 0.72 | CYP11B2 (0.66) | RPS6KA5CYP11B2CYP11B1 | |
| SCHEMBL10641373 | 0.72 | KDM4E (0.64) | RPS6KA5KDM4EMAPTMAPK1L3MBTL1 | |
| SCHEMBL10304964 | 0.71 | CYP11B2 (0.53) | CYP11B2CYP11B1 | |
| SCHEMBL17883780 | 0.71 | CYP11B2 (0.68) | CYP11B2CYP11B1 | |
| SCHEMBL428457 | 0.71 | CYP11B2 (0.71) | CYP11B2CYP11B1HTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595482-A1 | ALDOSTERONE SYNTHASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-05-29 | — | — | EP | claimed |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | claimed |
| 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 |