Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL14969456 | 0.97 | POLB (0.43) | ALDH1A1POLBLMNACCR3KMT2A | |
| SCHEMBL14969471 | 0.92 | KDM4E (0.41) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| SCHEMBL14966204 | 0.89 | SLC2A1 (0.42) | ALDH1A1LMNAKMT2AMEN1AURKA | |
| SCHEMBL14965848 | 0.88 | MCHR1 (0.37) | ALDH1A1KMT2AMEN1MCHR1 | |
| SCHEMBL14965741 | 0.88 | MCHR1 (0.42) | HDAC1HDAC6CHRM2MCHR1 | |
| SCHEMBL14965368 | 0.86 | KCNJ1 (0.40) | HRH3ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL14966188 | 0.86 | KDM4E (0.50) | ALDH1A1CCR3KMT2AMEN1HDAC1 | |
| SCHEMBL14965370 | 0.86 | ALDH1A1 (0.44) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| SCHEMBL14971065 | 0.86 | SLC2A1 (0.41) | HRH3ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL14965922 | 0.85 | MAPT (0.46) | ALDH1A1POLBLMNAKMT2AMEN1 |
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 |