Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14971108 | 0.87 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPTL3MBTL1LMNA | |
| SCHEMBL14965773 | 0.85 | L3MBTL1 (0.46) | ALDH1A1KDM4EMAPTL3MBTL1POLB | |
| SCHEMBL14965513 | 0.84 | LSS (0.46) | ALDH1A1MAPTPOLBLMNAKCNJ1 | |
| SCHEMBL14966142 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTLMNAKCNJ1 | |
| SCHEMBL14965775 | 0.83 | L3MBTL1 (0.41) | ALDH1A1KDM4EMAPTL3MBTL1POLB | |
| SCHEMBL14965999 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTPOLBLMNA | |
| SCHEMBL14966198 | 0.82 | KCNJ1 (0.40) | ALDH1A1MAPTPOLBLMNAKCNJ1 | |
| SCHEMBL14965550 | 0.82 | SLC2A1 (0.39) | ALDH1A1MAPTPOLBLMNAKCNJ1 | |
| SCHEMBL14965368 | 0.82 | KCNJ1 (0.40) | ALDH1A1KDM4EMAPTLMNAKCNJ1 | |
| SCHEMBL14966106 | 0.82 | SMN1; SMN2 (0.46) | ALDH1A1MAPTPOLBLMNAKCNJ1 |
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 |