Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYBB | P04839 | 3/20 | 0.40 |
| ▸ | NOX4 | Q9NPH5 | 3/20 | 0.40 |
| ▸ | NOX5 | Q96PH1 | 2/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.40 |
| ▸ | CLPP | Q16740 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6907289 | 0.92 | GABRA1 (0.43) | COMTKDM4EGFERCYP17A1CYP3A4 | |
| SCHEMBL6911739 | 0.89 | SLC6A5 (0.42) | DRD2CLPP | |
| SCHEMBL2347259 | 0.86 | CLPP (0.42) | COMTCYP17A1CYP3A4CYBBNOX4 | |
| SCHEMBL6910461 | 0.85 | MEN1 (0.37) | CLPPCHRNB2CHRNA4 | |
| SCHEMBL6911686 | 0.84 | MEN1 (0.51) | DRD2CYBBNOX4NOX5NOX1 | |
| SCHEMBL2344085 | 0.83 | CLPP (0.46) | COMTCYP17A1CYP3A4CYBBNOX4 | |
| SCHEMBL2344747 | 0.83 | KDM4E (0.43) | COMTKDM4ECYP17A1CYP3A4DRD2 | |
| SCHEMBL2350087 | 0.82 | KDM4E (0.42) | COMTKDM4ECYP17A1CYP3A4POLB | |
| SCHEMBL6911024 | 0.82 | BRS3 (0.44) | KDM4ECYP3A4DRD2KCNH2POLB | |
| SCHEMBL2354947 | 0.81 | KDM4E (0.46) | KDM4EGFERDRD2POLBCLPP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011101805-A1 | PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS | GENKYOTEX SA (CH) | 2011-08-25 | — | — | WO | disclosed |