Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966035 | 0.88 | MCHR1 (0.42) | CHRM4MCHR1CHRM1CHRM2CHRM5 | |
| SCHEMBL14965563 | 0.88 | MCHR1 (0.42) | CHRM4MCHR1CHRM1CHRM2CHRM5 | |
| SCHEMBL14965741 | 0.86 | MCHR1 (0.42) | CHRM4MCHR1CHRM1CHRM2CHRM5 | |
| SCHEMBL14965796 | 0.86 | MCHR1 (0.45) | MCHR1HTR4KCNH2 | |
| SCHEMBL14966019 | 0.84 | MCHR1 (0.39) | CHRM4MCHR1KCNH2 | |
| SCHEMBL14965822 | 0.83 | FGFR1 (0.45) | MCHR1DRD4 | |
| SCHEMBL14966081 | 0.83 | KCNJ1 (0.39) | MELK | |
| SCHEMBL14965650 | 0.82 | CNR1 (0.42) | MCHR1DRD4 | |
| SCHEMBL14965877 | 0.82 | MET (0.42) | MELKMET | |
| SCHEMBL14965597 | 0.82 | MTOR (0.39) | CHRM4MCHR1KCNH2MELKMET |
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 |