Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 11/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 10/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896640 | 0.92 | CYP11B2 (0.66) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL17896599 | 0.85 | CYP11B2 (0.63) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL17896687 | 0.83 | CYP11B1 (0.55) | CYP11B2CYP11B1CYP19A1ADRA2BMEN1 | |
| SCHEMBL10175581 | 0.81 | CYP11B2 (0.71) | CYP11B2CYP11B1CYP19A1ADRA2BMEN1 | |
| SCHEMBL17896718 | 0.81 | CYP11B2 (0.56) | CYP11B2CYP11B1CYP19A1ADRA2BMEN1 | |
| SCHEMBL17896665 | 0.81 | KDM4E (0.52) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL10175124 | 0.81 | CYP11B2 (0.51) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL462192 | 0.81 | CYP11B2 (0.49) | CYP11B2CYP11B1GRIN1GRIN2BCYP17A1 | |
| SCHEMBL17896661 | 0.79 | CYP11B1 (0.86) | CYP11B2CYP11B1CYP19A1ADRA2BCCNT1 | |
| SCHEMBL17896619 | 0.78 | NPC1 (0.51) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 |
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 |