Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896693 | 0.86 | PDE10A (0.50) | PDE2APDE10ACYP11B1CYP11B2KCNH2 | |
| SCHEMBL10175358 | 0.86 | PDE10A (0.65) | PDE2APDE10ACYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL10176215 | 0.86 | POLB (0.46) | PDE2APDE10ACYP11B1CYP11B2KCNH2 | |
| SCHEMBL17897061 | 0.83 | CYP11B2 (0.45) | PDE2APDE10ACYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL1769942 | 0.82 | PDE2A (0.48) | PDE2APDE10ACYP11B1CYP11B2KCNH2 | |
| SCHEMBL17896741 | 0.81 | CYP11B2 (0.47) | PDE2APDE10ACYP11B1CYP11B2KCNH2 | |
| SCHEMBL10175364 | 0.81 | L3MBTL1 (0.48) | PDE2APDE10ACYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL14152407 | 0.81 | PDE2A (0.47) | PDE2APDE10ACYP11B1CYP11B2KCNH2 | |
| SCHEMBL10248939 | 0.81 | AGPAT2 (0.50) | PDE2APDE10AKCNH2AOC3SMN1; SMN2 | |
| SCHEMBL6921035 | 0.80 | PDE2A (0.46) | PDE2APDE10ACYP11B1CYP11B2KCNH2 |
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 |