Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 11/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965970 | 0.91 | MTOR (0.39) | MCHR1HSP90AA1HSP90AB1MTORKCNH2 | |
| SCHEMBL14965848 | 0.90 | MCHR1 (0.37) | MCHR1KCNH2SLC2A1DHODH | |
| SCHEMBL14965822 | 0.88 | FGFR1 (0.45) | MCHR1 | |
| SCHEMBL14966204 | 0.88 | SLC2A1 (0.42) | MCHR1HSP90AA1HSP90AB1SLC2A1 | |
| SCHEMBL14965956 | 0.87 | MTOR (0.39) | HSP90AA1HSP90AB1MTORKCNH2SLC2A1 | |
| SCHEMBL14965650 | 0.87 | CNR1 (0.42) | MCHR1HSP90AA1 | |
| SCHEMBL14965896 | 0.87 | SUCNR1 (0.40) | MCHR1HSP90AA1HSP90AB1SLC2A1 | |
| SCHEMBL14965662 | 0.86 | ALDH1A1 (0.38) | MCHR1 | |
| SCHEMBL14966035 | 0.86 | MCHR1 (0.42) | MCHR1KCNH2CHRM4 | |
| SCHEMBL14965597 | 0.85 | MTOR (0.39) | MCHR1HSP90AA1HSP90AB1MTORKCNH2 |
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 |