Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 9/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | OGA | O60502 | 5/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | CDC7 | O00311 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965834 | 0.83 | OGA (0.49) | HRH4IDH1OGAADRA2BADRA2C | |
| SCHEMBL14965871 | 0.82 | ALDH1A1 (0.42) | OGAALDH1A1HTR6 | |
| SCHEMBL14965593 | 0.80 | MET (0.39) | HRH4OGAADRA2BADRA2CSLC6A2 | |
| SCHEMBL14966122 | 0.79 | OGA (0.41) | HRH4IDH1OGAADRA2BADRA2C | |
| SCHEMBL14965841 | 0.78 | OGA (0.46) | HRH4OGAADRA2BADRA2CSLC6A2 | |
| SCHEMBL14965923 | 0.78 | OGA (0.46) | HRH4OGAADRA2BADRA2CSLC6A2 | |
| SCHEMBL14965573 | 0.78 | CHRM1 (0.50) | HRH4IDH1OGASLC6A2HRH3 | |
| SCHEMBL14966207 | 0.78 | CHRM1 (0.37) | HRH4IDH1OGAADRA2BADRA2C | |
| SCHEMBL14965943 | 0.78 | GBA1 (0.40) | ALDH1A1 | |
| SCHEMBL14965617 | 0.77 | TRPV1 (0.45) | OGAALDH1A1 |
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 |