Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 5/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP4 | P49662 | 1/20 | 0.34 |
| ▸ | CASP5 | P51878 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965682 | 0.90 | HTR7 (0.44) | KMT2AMEN1POLBHTR7ADORA2A | |
| SCHEMBL14966131 | 0.86 | DRD2 (0.49) | PDE4BKMT2AMEN1DRD2DRD4 | |
| SCHEMBL14965746 | 0.85 | DRD2 (0.41) | PDE4BKMT2AMEN1DRD2DRD4 | |
| SCHEMBL14965730 | 0.84 | DRD2 (0.37) | PDE4BKMT2AMEN1POLBADORA2A | |
| SCHEMBL14965410 | 0.83 | DRD2 (0.38) | KMT2AMEN1POLBADORA2AADORA1 | |
| SCHEMBL14965866 | 0.82 | DRD2 (0.42) | KMT2AMEN1HTR7DRD2DRD4 | |
| SCHEMBL14965939 | 0.82 | PDE9A (0.39) | KMT2AMEN1POLBHTR7ADORA2A | |
| SCHEMBL14965683 | 0.82 | DRD2 (0.43) | PDE4BKMT2AMEN1ADORA2AADORA1 | |
| SCHEMBL14965749 | 0.82 | CYP11B1 (0.43) | PDE4BKMT2AMEN1DRD2DRD4 | |
| SCHEMBL14965623 | 0.80 | CYP2A13 (0.48) | KMT2AMEN1POLBCASP1CASP4 |
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 |