Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966101 | 0.85 | CHRM1 (0.35) | KCNH2CHRM1ALDH1A1CACNA1CSCN5A | |
| SCHEMBL14965582 | 0.80 | HSD17B10 (0.38) | KCNH2CHRM1ALDH1A1 | |
| SCHEMBL14965791 | 0.79 | KDM4E (0.36) | KCNH2CHRM1ALDH1A1 | |
| SCHEMBL1046316 | 0.78 | CHRM1 (0.40) | KCNH2CHRM1ALDH1A1CACNA1CSCN5A | |
| SCHEMBL14965717 | 0.78 | CHRM1 (0.35) | KCNH2CHRM1ALDH1A1 | |
| SCHEMBL14966113 | 0.77 | POLB (0.39) | KCNH2ALDH1A1 | |
| SCHEMBL14965372 | 0.76 | KCNH2 (0.38) | KCNH2CHRM1ALDH1A1 | |
| SCHEMBL14966005 | 0.76 | PKM (0.45) | ALDH1A1 | |
| SCHEMBL14965944 | 0.76 | KCNH2 (0.37) | KCNH2CHRM1ALDH1A1 | |
| SCHEMBL14969489 | 0.76 | ALDH1A1 (0.43) | KCNH2ALDH1A1 |
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 |