Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B | P47901 | 8/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966213 | 0.94 | HDAC4 (0.37) | AVPR1BSRCSCN9AKCNH2 | |
| SCHEMBL14965956 | 0.91 | MTOR (0.39) | KCNH2HTR1ADRD2CHRM3 | |
| SCHEMBL14966086 | 0.89 | FGFR1 (0.38) | BACE1 | |
| SCHEMBL14966064 | 0.88 | JAK2 (0.34) | HTR1ADRD2 | |
| SCHEMBL14966011 | 0.88 | MTOR (0.37) | SRCSCN9AKCNH2HTR1ADRD2 | |
| SCHEMBL14965848 | 0.88 | MCHR1 (0.37) | AVPR1BKCNH2 | |
| SCHEMBL14966157 | 0.86 | AVPR1B (0.38) | AVPR1B | |
| SCHEMBL14965647 | 0.86 | PIK3R1 (0.35) | — | |
| SCHEMBL14965762 | 0.85 | MTOR (0.39) | KCNH2CHRM3 | |
| SCHEMBL14966353 | 0.83 | JAK2 (0.37) | KCNH2HTR1ADRD2 |
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 |