Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 8/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965897 | 0.86 | HTR1A (0.35) | KCNH2HTR1ADRD2SLC2A1CXCR4 | |
| SCHEMBL14965895 | 0.86 | HTR1A (0.35) | KCNH2HTR1ADRD2SLC2A1CXCR4 | |
| SCHEMBL14965893 | 0.86 | SCN9A (0.37) | SCN9AKCNH2HTR1ADRD2MCHR1 | |
| SCHEMBL14965750 | 0.85 | CHKA (0.43) | KCNH2CHRM1SLC2A1 | |
| SCHEMBL14965894 | 0.85 | HIF1A (0.41) | KCNH2MCHR1CHRM1SLC2A1 | |
| SCHEMBL14965730 | 0.85 | DRD2 (0.37) | SCN9AKCNH2HTR1ADRD2CHRM1 | |
| SCHEMBL14965837 | 0.84 | HIF1A (0.44) | KCNH2CHRM1 | |
| SCHEMBL14965932 | 0.83 | HIF1A (0.41) | CHRM1 | |
| SCHEMBL14966162 | 0.83 | CHRM1 (0.36) | KCNH2HTR1ADRD2CHRM1 | |
| SCHEMBL14971086 | 0.82 | ALDH1A1 (0.41) | KCNH2SLC2A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | claimed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |