Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965984 | 0.88 | MAPT (0.42) | POLBL3MBTL1ALDH1A1SUV39H2MAPT | |
| SCHEMBL14965789 | 0.88 | CYP1A2 (0.40) | POLBGAAALDH1A1USP30SUV39H2 | |
| SCHEMBL14965943 | 0.86 | GBA1 (0.40) | POLBGAAALDH1A1MAPTKDM4E | |
| SCHEMBL14965857 | 0.82 | ENPP2 (0.36) | POLBGAAALDH1A1SUV39H2SLC6A2 | |
| SCHEMBL14971157 | 0.81 | PIK3CA (0.43) | L3MBTL1GAAALDH1A1MAPTKDM4E | |
| SCHEMBL14965923 | 0.81 | OGA (0.46) | SLC6A2 | |
| SCHEMBL14965774 | 0.80 | GBA1 (0.32) | POLBL3MBTL1ALDH1A1MAPT | |
| SCHEMBL14965617 | 0.78 | TRPV1 (0.45) | POLBALDH1A1 | |
| SCHEMBL14966123 | 0.77 | KMT2A (0.52) | SLC6A9SLC6A5POLBALDH1A1MAPT | |
| SCHEMBL14966084 | 0.75 | SLC6A9 (0.41) | SLC6A9SLC6A5JAK2ALDH1A1PTGS1 |
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 |