Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL17896620 | 0.84 | SMN1; SMN2 (0.46) | CYP11B2RAB9ANPC1MAPTTP53 | |
| SCHEMBL17896761 | 0.82 | CYP11B2 (0.56) | CYP11B2RAB9ANPC1MAPTTP53 | |
| SCHEMBL22439775 | 0.82 | ALDH1A1 (0.60) | RAB9ANPC1MAPTTP53SMN1; SMN2 | |
| SCHEMBL10175444 | 0.81 | CYP11B2 (0.50) | CYP11B2RAB9ANPC1MAPTTP53 | |
| SCHEMBL17896648 | 0.81 | CYP11B2 (0.59) | CYP11B2RAB9ANPC1MAPTTP53 | |
| SCHEMBL17896763 | 0.80 | CYP11B2 (0.48) | CYP11B2RAB9ANPC1MAPTTP53 | |
| SCHEMBL17883791 | 0.79 | CYP11B2 (0.47) | CYP11B2CYP11B1 | |
| SCHEMBL17896743 | 0.78 | CYP11B2 (0.60) | CYP11B2RAB9ANPC1MAPTTP53 | |
| SCHEMBL17896738 | 0.77 | BRD4 (0.54) | CYP11B2 | |
| SCHEMBL30663907 | 0.76 | RAB9A (0.53) | RAB9ANPC1MAPTTP53SMN1; 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 4 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 |