Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965888 | 0.86 | PIK3CA (0.43) | ALDH1A1LMNAHTTGAAMAPT | |
| SCHEMBL14965598 | 0.86 | NAAA (0.49) | ALDH1A1LMNAHTTGAAMAPT | |
| SCHEMBL14965860 | 0.85 | ALDH1A1 (0.52) | ALDH1A1GAAMAPTHPGDCA12 | |
| SCHEMBL14965651 | 0.84 | HPGD (0.43) | ALDH1A1LMNAHTTGAAMAPT | |
| SCHEMBL14965827 | 0.82 | NAAA (0.53) | ALDH1A1LMNAHTTGAAMAPT | |
| SCHEMBL14965706 | 0.81 | MEN1 (0.45) | ALDH1A1LMNAHTTGAAMAPT | |
| SCHEMBL14971106 | 0.81 | POLB (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14965998 | 0.79 | CYP11B2 (0.45) | HPGDMEN1KMT2ARAB9AKDM4E | |
| SCHEMBL14966119 | 0.77 | KMT2A (0.52) | ALDH1A1LMNAHTTGAAMAPT | |
| SCHEMBL14965793 | 0.77 | HPGD (0.53) | ALDH1A1LMNAGAAMAPTTSHR |
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 |