Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 17/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896648 | 0.84 | CYP11B2 (0.59) | CYP11B2CYP11B1CYP3A4ERN1KDM4E | |
| SCHEMBL459587 | 0.81 | CYP11B2 (0.63) | CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL17896741 | 0.81 | CYP11B2 (0.47) | CYP11B2CYP11B1CYP17A1KDM4EALDH1A1 | |
| SCHEMBL17896744 | 0.81 | CYP11B2 (0.47) | CYP11B2CYP11B1CYP17A1CYP3A4KDM4E | |
| SCHEMBL432410 | 0.79 | CYP11B2 (0.56) | CYP11B2CYP11B1ALDH1A1SMN1; SMN2 | |
| SCHEMBL434081 | 0.78 | CYP11B2 (0.53) | CYP11B2CYP11B1CYP3A4KDM4EALDH1A1 | |
| SCHEMBL10175154 | 0.77 | MEN1 (0.54) | CYP11B2CYP11B1KDM4EALDH1A1LMNA | |
| SCHEMBL17883780 | 0.77 | CYP11B2 (0.68) | CYP11B2CYP11B1CYP17A1CYP3A4ERN1 | |
| SCHEMBL460601 | 0.76 | CYP11B2 (0.67) | CYP11B2CYP11B1CYP3A4ERN1 | |
| SCHEMBL17896589 | 0.76 | CYP11B2 (0.51) | CYP11B2CYP11B1CYP3A4KDM4E |
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 2 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 |