Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965823 | 0.87 | CLK2 (0.39) | CHRM1L3MBTL1ALDH1A1LMNAMAPT | |
| SCHEMBL14966106 | 0.84 | SMN1; SMN2 (0.46) | CHRM1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14965775 | 0.83 | L3MBTL1 (0.41) | CHRM1GSK3BL3MBTL1ALDH1A1LMNA | |
| SCHEMBL14965513 | 0.83 | LSS (0.46) | CHRM1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14965703 | 0.83 | SMN1; SMN2 (0.49) | CHRM1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14965825 | 0.82 | CD274 (0.38) | CHRM1PIK3CAALDH1A1LMNAMAPT | |
| SCHEMBL14965541 | 0.82 | CD274 (0.39) | TBK1CHRM1PIK3CAALDH1A1LMNA | |
| SCHEMBL14971108 | 0.82 | ALDH1A1 (0.44) | L3MBTL1ALDH1A1LMNAMAPTKCNJ1 | |
| SCHEMBL14966132 | 0.81 | DRD4 (0.44) | ALDH1A1LMNAMAPTSMN1; SMN2DRD2 | |
| SCHEMBL14965550 | 0.81 | SLC2A1 (0.39) | ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2 |
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 |