Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 5/20 | 0.39 |
| ▸ | FLT3 | P36888 | 3/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.38 |
| ▸ | SMG1 | Q96Q15 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 2/20 | 0.36 |
| ▸ | TYK2 | P29597 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965593 | 0.88 | MET (0.39) | TRPV1KCNH2MCHR1 | |
| SCHEMBL14965841 | 0.87 | OGA (0.46) | — | |
| SCHEMBL14965834 | 0.78 | OGA (0.49) | — | |
| SCHEMBL14965573 | 0.78 | CHRM1 (0.50) | KCNH2MCHR1 | |
| SCHEMBL14965617 | 0.77 | TRPV1 (0.45) | TRPV1KCNH2 | |
| SCHEMBL14965871 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL14965636 | 0.76 | HRH4 (0.47) | CDK2GSK3B | |
| SCHEMBL14965789 | 0.76 | CYP1A2 (0.40) | MTOR | |
| SCHEMBL14965943 | 0.76 | GBA1 (0.40) | KCNH2 | |
| SCHEMBL14966207 | 0.74 | CHRM1 (0.37) | KCNH2 |
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 |