Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 3/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965836 | 0.91 | MCHR1 (0.41) | CHRM1KCNH2MCHR1PTGS1SLC6A2 | |
| SCHEMBL14965973 | 0.89 | CHRM1 (0.51) | CHRM1KCNH2MCHR1PTGS1SLC6A2 | |
| SCHEMBL14965728 | 0.89 | EPHX2 (0.47) | CHRM1FAAHEPHX2 | |
| SCHEMBL14965608 | 0.86 | CHRM1 (0.48) | CHRM1KCNH2PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14965755 | 0.82 | EPHX2 (0.50) | CHRM1KCNH2MCHR1PTGS1SLC6A2 | |
| SCHEMBL14966094 | 0.81 | PDE7A (0.33) | CHRM1 | |
| SCHEMBL30260105 | 0.81 | CHRM1 (0.61) | CHRM1KCNH2MCHR1DPP4DPP8 | |
| SCHEMBL14971162 | 0.79 | DRD2 (0.38) | CHRM1 | |
| SCHEMBL14965365 | 0.77 | CHRM1 (0.49) | CHRM1KCNH2PTGS1SLC6A2SLC6A4 | |
| SCHEMBL14965802 | 0.77 | L3MBTL3 (0.43) | SCN9A |
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 | claimed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |