Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 6/20 | 0.36 |
| ▸ | OGA | O60502 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965573 | 0.89 | CHRM1 (0.50) | CHRM1IDH1OGAKCNH2CCNC | |
| SCHEMBL14965834 | 0.87 | OGA (0.49) | IDH1OGAHRH4HRH3ADRA2B | |
| SCHEMBL14965593 | 0.86 | MET (0.39) | CHRM1OGAKCNH2HRH4HRH3 | |
| SCHEMBL14966122 | 0.81 | OGA (0.41) | IDH1OGAHRH4HRH3ADRA2B | |
| SCHEMBL14965871 | 0.80 | ALDH1A1 (0.42) | OGAHTR6 | |
| SCHEMBL14965841 | 0.80 | OGA (0.46) | CHRM1OGAHRH4HRH3ADRA2B | |
| SCHEMBL14965923 | 0.78 | OGA (0.46) | OGAKCNH2HRH4HRH3ADRA2B | |
| SCHEMBL14965636 | 0.78 | HRH4 (0.47) | IDH1OGAHRH4HRH3ADRA2B | |
| SCHEMBL14966015 | 0.78 | CHRM1 (0.44) | CHRM1KCNH2 | |
| SCHEMBL14965804 | 0.76 | KMT2A (0.41) | CHRM1KCNH2 |
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 |