Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966131 | 0.89 | DRD2 (0.49) | DRD2DRD4DRD3HTR1AALDH1A1 | |
| SCHEMBL14965749 | 0.88 | CYP11B1 (0.43) | DRD2DRD4DRD3ALDH1A1MEN1 | |
| SCHEMBL14965746 | 0.87 | DRD2 (0.41) | DRD2DRD4DRD3ALDH1A1MEN1 | |
| SCHEMBL14965730 | 0.85 | DRD2 (0.37) | DRD2DRD4DRD3HTR1AALDH1A1 | |
| SCHEMBL14966162 | 0.85 | CHRM1 (0.36) | DRD2HTR1ACNR2KCNH2 | |
| SCHEMBL14965866 | 0.84 | DRD2 (0.42) | DRD2DRD4DRD3HTR1AMEN1 | |
| SCHEMBL14966317 | 0.83 | LOXL2 (0.42) | DRD2HTR1AALDH1A1MEN1KMT2A | |
| SCHEMBL14965508 | 0.83 | CAMKK2 (0.37) | DRD2HTR1AKCNH2 | |
| SCHEMBL14965410 | 0.83 | DRD2 (0.38) | DRD2DRD4DRD3ALDH1A1MEN1 | |
| SCHEMBL14965835 | 0.82 | MTOR (0.37) | ALDH1A1 |
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 |