Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.42 |
| ▸ | DRD4 | P21917 | 8/20 | 0.42 |
| ▸ | DRD3 | P35462 | 8/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 7/20 | 0.38 |
| ▸ | WNT1 | P04628 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 5/20 | 0.38 |
| ▸ | CLK3 | P49761 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966131 | 0.92 | DRD2 (0.49) | DRD2DRD4DRD3HTR1AMEN1 | |
| SCHEMBL14965746 | 0.89 | DRD2 (0.41) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL14965749 | 0.85 | CYP11B1 (0.43) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL14965410 | 0.85 | DRD2 (0.38) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL14966240 | 0.85 | KIT (0.40) | DRD2DRD4DRD3 | |
| SCHEMBL14965957 | 0.84 | DRD2 (0.40) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL14965683 | 0.84 | DRD2 (0.43) | DRD2DRD4DRD3HTR1AMEN1 | |
| SCHEMBL14971091 | 0.84 | DRD2 (0.44) | DRD2DRD4DRD3HTR1AMEN1 | |
| SCHEMBL14966205 | 0.83 | LSS (0.46) | DRD2DRD4DRD3HTR1A | |
| SCHEMBL14965790 | 0.83 | DRD2 (0.38) | DRD2DRD4DRD3HTR1AHTR2A |
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 |