Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 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 | |
|---|---|---|---|---|
| SCHEMBL17630007 | 0.81 | HRH2 (0.36) | KDM1AMAOBMAOAAHRCYP11B1 | |
| SCHEMBL17629922 | 0.81 | KDM1A (0.41) | KDM1AADRA2CERBB2PTGDR2STS | |
| SCHEMBL17630076 | 0.80 | HRH2 (0.35) | KDM1ACYP11B1CYP11B2 | |
| SCHEMBL17629934 | 0.79 | KDM1A (0.38) | KDM1AADRA2CCYP11B1CYP11B2PTGDR2 | |
| SCHEMBL17630083 | 0.79 | CYP2D6 (0.42) | CNR1 | |
| SCHEMBL17630107 | 0.78 | CYP11B1 (0.47) | MAOBMAOAAHRCYP11B1CYP11B2 | |
| SCHEMBL17630196 | 0.76 | GRIA1 (0.45) | — | |
| SCHEMBL17630189 | 0.75 | ALDH1A1 (0.41) | AHRCYP11B2 | |
| SCHEMBL17629984 | 0.75 | PDE2A (0.50) | — | |
| SCHEMBL17629912 | 0.74 | CYP11B2 (0.47) | CYP11B1CYP11B2 |
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-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |