Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965582 | 0.83 | HSD17B10 (0.38) | KCNH2CHRM1MITFALDH1A1MEN1 | |
| SCHEMBL14965776 | 0.82 | KCNH2 (0.42) | KCNH2CHRM1MITFALDH1A1LMNA | |
| SCHEMBL14965791 | 0.82 | KDM4E (0.36) | KCNH2CHRM1MITFALDH1A1MEN1 | |
| SCHEMBL14965275 | 0.82 | ALDH1A1 (0.37) | KCNH2CHRM1ALDH1A1MEN1KMT2A | |
| SCHEMBL14966216 | 0.82 | ALDH1A1 (0.40) | KCNH2CHRM1ALDH1A1MEN1KMT2A | |
| SCHEMBL14966080 | 0.81 | ALDH1A1 (0.39) | KCNH2ALDH1A1PKMLMNAMAPT | |
| SCHEMBL14966113 | 0.80 | POLB (0.39) | KCNH2MITFALDH1A1MEN1KMT2A | |
| SCHEMBL14966005 | 0.80 | PKM (0.45) | ALDH1A1MEN1KMT2APKMLMNA | |
| SCHEMBL14969489 | 0.79 | ALDH1A1 (0.43) | KCNH2ALDH1A1POLBAHR | |
| SCHEMBL14965889 | 0.78 | ALDH1A1 (0.44) | KCNH2ALDH1A1MEN1KMT2APOLB |
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 2 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 | disclosed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |