Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 18/20 | 0.69 |
| ▸ | CYP11B1 | P15538 | 15/20 | 0.69 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10175581 | 0.90 | CYP11B2 (0.71) | CYP11B2CYP11B1ADRB1ADRA2ACYP19A1 | |
| SCHEMBL10175785 | 0.84 | CYP11B1 (0.63) | CYP11B2CYP11B1ADRB1ADRA2ACYP19A1 | |
| SCHEMBL10175360 | 0.83 | RAB9A (0.49) | CYP11B2CYP11B1MEN1KMT2A | |
| SCHEMBL17883792 | 0.82 | CYP11B2 (0.58) | CYP11B2CYP11B1CYP19A1ADRA2B | |
| SCHEMBL10176164 | 0.82 | CYP11B2 (1.00) | CYP11B2CYP11B1MEN1KMT2A | |
| SCHEMBL17896597 | 0.81 | CYP11B2 (0.59) | CYP11B2CYP11B1ADRB1ADRA2ACYP19A1 | |
| SCHEMBL10175107 | 0.80 | CYP11B2 (0.47) | CYP11B2CYP11B1 | |
| SCHEMBL17883797 | 0.79 | CYP11B2 (0.57) | CYP11B2CYP11B1ADRB1ADRA2ACYP19A1 | |
| SCHEMBL17896718 | 0.78 | CYP11B2 (0.56) | CYP11B2CYP11B1ADRB1ADRA2ACYP19A1 | |
| SCHEMBL17896687 | 0.78 | CYP11B1 (0.55) | CYP11B2CYP11B1ADRB1ADRA2ACYP19A1 |
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 |