Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 17/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 14/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL17883792 | 0.85 | CYP11B2 (0.58) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL17896599 | 0.85 | CYP11B2 (0.63) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL10175124 | 0.81 | CYP11B2 (0.51) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL17896676 | 0.81 | CYP11B1 (0.68) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL10175146 | 0.80 | CYP11B2 (0.67) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL17896678 | 0.79 | CYP11B2 (0.77) | CYP11B2CYP11B1CYP19A1ADRA2BCYP3A4 | |
| SCHEMBL10175129 | 0.79 | CYP11B2 (0.45) | CYP11B2CYP11B1CYP19A1ADRA2BALOX15 | |
| SCHEMBL17896699 | 0.78 | PTGS2 (0.39) | CYP11B2CYP11B1CYP19A1ADRA2BPTGS2 | |
| SCHEMBL17896692 | 0.78 | CYP11B1 (0.46) | CYP11B2CYP11B1PTGS2 | |
| SCHEMBL17896629 | 0.78 | PTGS2 (0.49) | CYP11B2CYP11B1ALOX15PTGS2 |
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 | claimed |
| 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 |