Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896755 | 0.86 | SMN1; SMN2 (0.44) | CYP11B1CYP11B2DYRK1AALDH1A1POLB | |
| SCHEMBL17883790 | 0.84 | USP2 (0.63) | CYP11B1CYP11B2USP2HTTNCOA1 | |
| SCHEMBL17883783 | 0.83 | CYP11B2 (0.43) | CYP11B1CYP11B2HTTDYRK1AALDH1A1 | |
| SCHEMBL10175462 | 0.81 | KDM4E (0.42) | CYP11B1CYP11B2HTTDYRK1AALDH1A1 | |
| SCHEMBL17896681 | 0.75 | CYP11B2 (0.59) | CYP11B1CYP11B2USP2HTTNCOA1 | |
| SCHEMBL17896587 | 0.74 | CYP11B2 (0.73) | CYP11B1CYP11B2USP2HTTNCOA1 | |
| SCHEMBL10175614 | 0.73 | SMN1; SMN2 (0.46) | DYRK1AALDH1A1POLBMETBRPF1 | |
| SCHEMBL17896756 | 0.71 | PTGS2 (0.45) | CYP11B1CYP11B2ALDH1A1POLBKDM4E | |
| SCHEMBL460529 | 0.69 | NAMPT (0.53) | CYP11B1CYP11B2ALDH1A1METBRPF1 | |
| SCHEMBL10175126 | 0.68 | CA12 (0.53) | CYP11B1CYP11B2CYP19A1ADRA2B |
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 |