Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 5/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965750 | 0.97 | CHKA (0.43) | HIF1AEPAS1CHRM1ALDH1A1KDM4E | |
| SCHEMBL14965538 | 0.89 | HDAC4 (0.49) | HIF1AEPAS1ALDH1A1SMN1; SMN2 | |
| SCHEMBL14965587 | 0.89 | HIF1A (0.60) | HIF1AEPAS1ALDH1A1MAPT | |
| SCHEMBL14965932 | 0.89 | HIF1A (0.41) | HIF1AEPAS1CHRM1 | |
| SCHEMBL14965968 | 0.88 | LMNA (0.48) | CHRM1ALDH1A1KDM4ELMNA | |
| SCHEMBL14965599 | 0.88 | KDM4E (0.45) | HIF1AEPAS1CHRM1ALDH1A1KDM4E | |
| SCHEMBL14965761 | 0.88 | S1PR5 (0.44) | CHRM1ALDH1A1KCNJ1LMNAMAPT | |
| SCHEMBL14965957 | 0.87 | DRD2 (0.40) | CHRM1KCNH2CHKA | |
| SCHEMBL14965842 | 0.87 | CHRM1 (0.59) | CHRM1ALDH1A1KCNJ1LMNAMAPT | |
| SCHEMBL14966162 | 0.86 | CHRM1 (0.36) | HIF1AEPAS1CHRM1LMNASMN1; SMN2 |
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 |