Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17629898 | 0.82 | CYP11B2 (0.44) | CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL17630001 | 0.81 | CYP11B1 (0.41) | CYP11B1CYP11B2CYP19A1CHUKPKN1 | |
| SCHEMBL17672507 | 0.80 | CYP19A1 (0.41) | CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL31483664 | 0.75 | MEN1 (0.43) | CYP19A1 | |
| SCHEMBL17643416 | 0.75 | MEN1 (0.43) | CYP19A1 | |
| SCHEMBL17629989 | 0.75 | ADRA2C (0.47) | LOXL2 | |
| SCHEMBL17672592 | 0.75 | LMNA (0.46) | ABCB1CCNCCDK8NAAAABCG2 | |
| SCHEMBL17630107 | 0.75 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP19A1PKN1PKN2 | |
| SCHEMBL17672718 | 0.74 | LRRK2 (0.36) | CDK8 | |
| SCHEMBL17679257 | 0.74 | HRH1 (0.48) | CYP11B1CYP11B2CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |