Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | KIT | P10721 | 4/20 | 0.52 |
| ▸ | MET | P08581 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17897056 | 0.87 | MET (0.49) | NAMPTCYP11B1CYP11B2KITMET | |
| SCHEMBL10175617 | 0.85 | CYP11B2 (0.55) | CYP11B1CYP11B2METMAPK10CYP17A1 | |
| SCHEMBL17883790 | 0.85 | USP2 (0.63) | CYP11B1CYP11B2KITMETMAPK10 | |
| SCHEMBL10175468 | 0.85 | MET (0.46) | NAMPTCYP11B1CYP11B2KITMET | |
| SCHEMBL10175612 | 0.84 | CYP11B2 (0.63) | CYP11B1CYP11B2METMAPK10CYP17A1 | |
| SCHEMBL17883781 | 0.83 | PTGS2 (0.57) | NAMPTCYP11B1CYP11B2KITATM | |
| SCHEMBL17896755 | 0.83 | SMN1; SMN2 (0.44) | CYP11B1CYP11B2KITATMSMN1; SMN2 | |
| SCHEMBL10175614 | 0.83 | SMN1; SMN2 (0.46) | NAMPTKITMETSMN1; SMN2LMNA | |
| SCHEMBL10175103 | 0.81 | NAMPT (0.61) | NAMPTCYP11B1CYP11B2KITATM | |
| SCHEMBL17896756 | 0.81 | PTGS2 (0.45) | CYP11B1CYP11B2KITCYP17A1SMN1; SMN2 |
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 |
| 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 |