Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD51 | Q06609 | 1/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.59 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.59 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | G6PD | P11413 | 1/20 | 0.49 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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) | RAD51CYP11B2CYP11B1CYP17A1NPC1 | |
| SCHEMBL10175820 | 0.83 | MEN1 (0.59) | RAD51ATMNPC1RAB9AACSS2 | |
| SCHEMBL1463802 | 0.83 | G6PD (0.59) | RAD51CYP11B2CYP11B1CYP17A1CYP19A1 | |
| SCHEMBL29680837 | 0.82 | CYP11B1 (0.45) | RAD51CYP11B2CYP11B1CYP17A1CYP19A1 | |
| SCHEMBL17544140 | 0.82 | CYP11B1 (0.45) | RAD51CYP11B2CYP11B1CYP17A1CYP19A1 | |
| SCHEMBL461190 | 0.82 | CYP11B2 (0.83) | RAD51CYP11B2CYP11B1CYP17A1CYP19A1 | |
| SCHEMBL10175606 | 0.81 | CYP11B2 (0.60) | CYP11B2CYP11B1ATMNPC1RAB9A | |
| SCHEMBL10176218 | 0.81 | CYP11B2 (0.60) | CYP11B2CYP11B1ATMNPC1RAB9A | |
| SCHEMBL10176167 | 0.81 | CYP11B2 (0.80) | CYP11B2CYP11B1ATMNAMPTKIT | |
| SCHEMBL10175815 | 0.81 | CYP11B1 (0.48) | RAD51CYP11B2CYP11B1CYP17A1CYP19A1 |
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 |