Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14965929 | 0.91 | USP2 (0.39) | KMT2AUSP2HTTALDH1A1MDM2 | |
| SCHEMBL14965373 | 0.89 | CA1 (0.48) | KMT2AUSP2HTTLMNACA1 | |
| SCHEMBL14965548 | 0.88 | CHRM1 (0.52) | KMT2AUSP2HTTCHRM1CA1 | |
| SCHEMBL14965754 | 0.87 | TSHR (0.47) | KMT2ACHRM1ALDH1A1MEN1TSHR | |
| SCHEMBL14965622 | 0.86 | CHRM1 (0.50) | KMT2AUSP2HTTCHRM1KCNH2 | |
| SCHEMBL14965565 | 0.86 | KMT2A (0.43) | KMT2AUSP2HTTLMNACA1 | |
| SCHEMBL14966219 | 0.85 | CA1 (0.48) | KMT2AUSP2HTTCHRM1CA1 | |
| SCHEMBL14966015 | 0.85 | CHRM1 (0.44) | KMT2ACHRM1LMNAKCNH2ALDH1A1 | |
| SCHEMBL14965849 | 0.82 | CHRM1 (0.44) | USP2HTTCHRM1KCNH2 | |
| SCHEMBL14965982 | 0.81 | HIF1A (0.47) | KMT2ALMNAALDH1A1MEN1SMN1; SMN2 |
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 |