Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MOK | Q9UQ07 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966129 | 0.86 | SCN9A (0.37) | SCN9AMCHR1HTR1ADRD2CXCR4 | |
| SCHEMBL14965897 | 0.86 | HTR1A (0.35) | HTR1ADRD2CXCR4HSD11B1KCNH2 | |
| SCHEMBL14965895 | 0.86 | HTR1A (0.35) | HTR1ADRD2CXCR4HSD11B1KCNH2 | |
| SCHEMBL14965986 | 0.85 | KCNJ1 (0.41) | KCNH2KCNJ1CYP11B1 | |
| SCHEMBL14965673 | 0.85 | MCHR1 (0.36) | MCHR1SRCHSD11B1KCNH2KCNJ1 | |
| SCHEMBL14965795 | 0.84 | CYP11B1 (0.45) | MCHR1SRCHTR1ADRD2KCNH2 | |
| SCHEMBL14966215 | 0.83 | CYP11B1 (0.43) | SRCHSD11B1KCNH2KCNJ1CYP11B1 | |
| SCHEMBL14965730 | 0.83 | DRD2 (0.37) | SCN9AHTR1ADRD2CXCR4KCNH2 | |
| SCHEMBL14965939 | 0.83 | PDE9A (0.39) | SRCKCNH2KCNJ1 | |
| SCHEMBL14965508 | 0.83 | CAMKK2 (0.37) | SRCHTR1ADRD2KCNH2KCNJ1 |
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 |