Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965651 | 0.88 | HPGD (0.43) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL14966196 | 0.85 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL14965706 | 0.82 | MEN1 (0.45) | ALDH1A1HPGDMAPTGAAMAPK1 | |
| SCHEMBL14965998 | 0.82 | CYP11B2 (0.45) | HPGDKDM4EKMT2AMEN1RAB9A | |
| SCHEMBL14965625 | 0.80 | SMN1; SMN2 (0.40) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL14965888 | 0.80 | PIK3CA (0.43) | ALDH1A1KDM4EMAPTGAAMAPK1 | |
| SCHEMBL14965598 | 0.79 | NAAA (0.49) | ALDH1A1HPGDKDM4EMAPTGAA | |
| SCHEMBL14965699 | 0.77 | SMN1; SMN2 (0.43) | ALDH1A1KDM4EMAPTMAPK1TDP1 | |
| SCHEMBL14971106 | 0.77 | POLB (0.56) | KMT2AMEN1SMN1; SMN2CA12CA1 | |
| SCHEMBL14965869 | 0.76 | ALDH1A1 (0.41) | ALDH1A1MAPTGAAKMT2AMEN1 |
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 |