Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896651 | 0.85 | CYP11B2 (0.48) | CYP11B1CYP11B2CYP19A1ADRA2BPTGER4 | |
| SCHEMBL17896649 | 0.83 | PTGS2 (0.58) | CA12CA9CA1CA2CYP11B1 | |
| SCHEMBL17896718 | 0.83 | CYP11B2 (0.56) | CA12CA9CA1CA2CYP11B1 | |
| SCHEMBL17883781 | 0.82 | PTGS2 (0.57) | CA12CA9CA1CA2CYP11B1 | |
| SCHEMBL17896755 | 0.82 | SMN1; SMN2 (0.44) | CA12CA9CA1CA2CYP11B1 | |
| SCHEMBL17896619 | 0.80 | NPC1 (0.51) | CA12CA9CA1CA2CYP11B1 | |
| SCHEMBL17896665 | 0.80 | KDM4E (0.52) | CA12CA9CA1CA2CYP11B1 | |
| SCHEMBL29400487 | 0.80 | CA1 (0.61) | CA12CA9CA1CA2CYP11B1 | |
| Hydrochloric Acid SCHEMBL29398543 | 0.79 | CA1 (0.60) | CA12CA9CA1CA2CYP11B1 | |
| SCHEMBL17896730 | 0.78 | PTGER4 (0.52) | CYP11B1CYP11B2CYP19A1ADRA2BPTGER4 |
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 |