Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | MLLT1 | Q03111 | 2/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965574 | 0.91 | HDAC4 (0.36) | MCHR1METTBK1HDAC1MLLT1 | |
| SCHEMBL14965597 | 0.90 | MTOR (0.39) | MTORPARP1TNK1MCHR1MET | |
| SCHEMBL14965517 | 0.89 | FGFR1 (0.40) | PARP1TNK1MET | |
| SCHEMBL14965666 | 0.88 | LRRK2 (0.36) | METTBK1 | |
| SCHEMBL14965835 | 0.87 | MTOR (0.37) | MTORPIK3CA | |
| SCHEMBL14965806 | 0.86 | MET (0.39) | MTORMETPIK3CA | |
| SCHEMBL14965762 | 0.86 | MTOR (0.39) | MTORMETCHRM4HSP90AA1HSP90AB1 | |
| SCHEMBL14965970 | 0.84 | MTOR (0.39) | MTORMCHR1HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL14966019 | 0.84 | MCHR1 (0.39) | MTORMCHR1CHRM4HSP90AA1HSP90AB1 | |
| SCHEMBL14966035 | 0.82 | MCHR1 (0.42) | PARP1TNK1MCHR1METCHRM4 |
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 |