Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966106 | 0.97 | SMN1; SMN2 (0.46) | SMN1; SMN2SIGMAR1CHRM1KCNH2KCNJ1 | |
| SCHEMBL14965611 | 0.89 | TSHR (0.61) | MAPTALDH1A1LMNAPOLBTSHR | |
| SCHEMBL14966132 | 0.88 | DRD4 (0.44) | SMN1; SMN2SIGMAR1MAPTHTTALDH1A1 | |
| SCHEMBL14965842 | 0.87 | CHRM1 (0.59) | SMN1; SMN2CHRM1KCNH2KCNJ1MAPT | |
| SCHEMBL14966015 | 0.87 | CHRM1 (0.44) | SMN1; SMN2CHRM1KCNH2KCNJ1MAPT | |
| SCHEMBL14965999 | 0.86 | ALDH1A1 (0.43) | SMN1; SMN2SIGMAR1CHRM1KCNJ1MAPT | |
| SCHEMBL14965773 | 0.86 | L3MBTL1 (0.46) | SMN1; SMN2SIGMAR1KCNJ1MAPTALDH1A1 | |
| SCHEMBL14965825 | 0.86 | CD274 (0.38) | SMN1; SMN2CHRM1KCNH2KCNJ1MAPT | |
| SCHEMBL14966010 | 0.85 | KDM4E (0.48) | SMN1; SMN2KCNJ1MAPTALDH1A1LMNA | |
| SCHEMBL14965541 | 0.85 | CD274 (0.39) | SMN1; SMN2CHRM1KCNJ1MAPTALDH1A1 |
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 |