Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896613 | 0.90 | CYP11B2 (0.46) | CYP11B2CYP11B1 | |
| SCHEMBL10175348 | 0.87 | CYP11B2 (0.48) | CYP11B2ALDH1A1CYP11B1KDM4EGLA | |
| SCHEMBL17896641 | 0.85 | CYP11B2 (0.47) | CYP11B2ALDH1A1CYP11B1KDM4EGLA | |
| SCHEMBL17896642 | 0.83 | ALOX5AP (0.46) | CYP11B2CYP11B1PTGER4PTGS2CA12 | |
| SCHEMBL17883795 | 0.82 | CYP11B2 (0.47) | CYP11B2CYP11B1 | |
| SCHEMBL10175125 | 0.82 | CYP11B2 (0.70) | CYP11B2CYP11B1 | |
| SCHEMBL10175439 | 0.81 | CYP11B2 (0.46) | CYP11B2CYP11B1ATM | |
| SCHEMBL4243953 | 0.81 | CYP11B2 (0.69) | CYP11B2CYP11B1ATMPTGS2 | |
| SCHEMBL10175456 | 0.80 | MEN1 (0.57) | CYP11B2ALDH1A1NPC1TP53MAPT | |
| SCHEMBL13749911 | 0.79 | ATM (0.52) | CYP11B2ALDH1A1NPC1TP53MAPT |
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 |