Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17896760 | 0.88 | CYP11B1 (0.52) | ACSS2ALDH1A1SMN1; SMN2TDP1RAD51 | |
| SCHEMBL17896621 | 0.85 | SMN1; SMN2 (0.49) | ACSS2ALDH1A1SMN1; SMN2HDAC3HDAC1 | |
| SCHEMBL10175815 | 0.85 | CYP11B1 (0.48) | ACSS2ALDH1A1SMN1; SMN2TDP1RAD51 | |
| SCHEMBL459296 | 0.81 | ACSS2 (0.45) | ACSS2ALDH1A1SMN1; SMN2TDP1RAD51 | |
| SCHEMBL10175817 | 0.81 | RAD51 (0.60) | ACSS2ALDH1A1SMN1; SMN2RAD51MAPT | |
| SCHEMBL10175820 | 0.80 | MEN1 (0.59) | ACSS2ALDH1A1SMN1; SMN2TDP1RAD51 | |
| SCHEMBL10175342 | 0.79 | CYP11B2 (0.46) | ALDH1A1SMN1; SMN2MAPTNPC1TP53 | |
| SCHEMBL17896764 | 0.79 | ALDH1A1 (0.43) | ACSS2ALDH1A1SMN1; SMN2TDP1RAD51 | |
| SCHEMBL17896629 | 0.79 | PTGS2 (0.49) | ALDH1A1SMN1; SMN2MAPTNPC1TP53 | |
| SCHEMBL17896762 | 0.78 | BRD4 (0.48) | ACSS2 |
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 5 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 |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |