Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965891 | 0.89 | CHRM1 (0.36) | CHRM1KCNH2ALDH1A1MAPT | |
| SCHEMBL14965604 | 0.84 | THRB (0.34) | CHRM1KCNH2SIGMAR1ALDH1A1MAPT | |
| SCHEMBL14965838 | 0.81 | CHRM1 (0.34) | CHRM1KCNH2 | |
| SCHEMBL14966146 | 0.81 | CHRM1 (0.36) | CHRM1KCNH2ALDH1A1 | |
| SCHEMBL14966080 | 0.79 | ALDH1A1 (0.39) | KCNH2ALDH1A1MAPT | |
| SCHEMBL14965946 | 0.77 | CYP1A2 (0.46) | SIGMAR1 | |
| SCHEMBL14965567 | 0.77 | CHRM1 (0.36) | CHRM1KCNH2ALDH1A1MAPT | |
| SCHEMBL1046316 | 0.77 | CHRM1 (0.40) | CHRM1KCNH2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL14965816 | 0.76 | CHRM1 (0.36) | CHRM1KCNH2ALDH1A1MAPT | |
| SCHEMBL14965717 | 0.76 | CHRM1 (0.35) | CHRM1KCNH2ALDH1A1MAPTKCNJ1 |
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 |