Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965895 | 1.00 | HTR1A (0.35) | HTR1ADRD2CXCR4ALDH1A1ALOX5 | |
| SCHEMBL14971086 | 0.88 | ALDH1A1 (0.41) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL14965893 | 0.86 | SCN9A (0.37) | HTR1ADRD2CXCR4KCNH2HSD11B1 | |
| SCHEMBL14966129 | 0.86 | SCN9A (0.37) | HTR1ADRD2CXCR4KCNH2SLC2A1 | |
| SCHEMBL14965368 | 0.85 | KCNJ1 (0.40) | ALDH1A1KDM4EMAPTMAPK1MEN1 | |
| SCHEMBL14965407 | 0.84 | KCNJ1 (0.42) | ALDH1A1KDM4EMAPTMAPK1MEN1 | |
| SCHEMBL14965730 | 0.83 | DRD2 (0.37) | HTR1ADRD2CXCR4ALDH1A1KDM4E | |
| SCHEMBL14966317 | 0.83 | LOXL2 (0.42) | HTR1ADRD2ALDH1A1MEN1KMT2A | |
| SCHEMBL14966011 | 0.81 | MTOR (0.37) | HTR1ADRD2ALDH1A1KCNH2AOC3 | |
| SCHEMBL14966353 | 0.81 | JAK2 (0.37) | HTR1ADRD2KCNH2 |
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 |