Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966362 | 0.88 | KCNH2 (0.39) | KCNH2CHRM1PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14966216 | 0.84 | ALDH1A1 (0.40) | KCNH2CHRM1SIRT2SIRT1KCNJ1 | |
| SCHEMBL14965776 | 0.83 | KCNH2 (0.42) | KCNH2CHRM1PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14965833 | 0.77 | KCNH2 (0.41) | KCNH2CHRM1PTGS1SLC6A2SLC6A4 | |
| SCHEMBL6010840 | 0.74 | PTGS1 (0.51) | KCNH2PTGS1SLC6A2SLC6A4CACNA1C | |
| SCHEMBL5534763 | 0.72 | KCNH2 (0.53) | KCNH2CHRM1PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14965922 | 0.71 | MAPT (0.46) | KCNH2KCNJ1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL14965407 | 0.69 | KCNJ1 (0.42) | CHRM1KCNJ1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL14965944 | 0.69 | KCNH2 (0.37) | KCNH2CHRM1KMT2AMEN1ALDH1A1 | |
| SCHEMBL14965638 | 0.69 | KCNH2 (0.40) | KCNH2CHRM1PTGS1SLC6A2SLC6A4 |
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 |