Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966114 | 0.91 | KCNH2 (0.38) | CA1CA2CA7CACNA1GCACNA1B | |
| SCHEMBL14966065 | 0.90 | LMNA (0.54) | LMNAKMT2APOLBL3MBTL1ALDH1A1 | |
| SCHEMBL14966219 | 0.88 | CA1 (0.48) | CA1CA2CA7KCNH2KMT2A | |
| SCHEMBL14965783 | 0.86 | NPC1 (0.51) | LMNAATMKMT2APOLBALDH1A1 | |
| SCHEMBL14965587 | 0.85 | HIF1A (0.60) | KMT2AHIF1AEPAS1ALDH1A1 | |
| SCHEMBL14966242 | 0.83 | LMNA (0.44) | LMNAKMT2APOLBL3MBTL1ALDH1A1 | |
| SCHEMBL14965557 | 0.82 | DRD4 (0.48) | KCNH2ATMKMT2AALDH1A1 | |
| SCHEMBL14965837 | 0.82 | HIF1A (0.44) | KCNH2LMNAL3MBTL1HIF1AEPAS1 | |
| SCHEMBL14966262 | 0.81 | POLB (0.49) | LMNAKMT2APOLBL3MBTL1ALDH1A1 | |
| SCHEMBL5542906 | 0.81 | KCNH2 (0.50) | CA1CA2CA7CACNA1GCACNA1B |
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 |