Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAA2 | P54646 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965561 | 0.92 | KDM4E (0.45) | PRKAA2ALDH1A1CD274CHRM4SMN1; SMN2 | |
| SCHEMBL14965800 | 0.90 | ALDH1A1 (0.58) | PRKAA2ALDH1A1TSHRMLLT1HDAC4 | |
| SCHEMBL14966186 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TSHRMLLT1HDAC4HDAC6 | |
| SCHEMBL14965538 | 0.88 | HDAC4 (0.49) | ALDH1A1CHRM3TSHRMLLT1HDAC4 | |
| SCHEMBL14965611 | 0.87 | TSHR (0.61) | ALDH1A1CHRM3TSHRMLLT1HDAC4 | |
| SCHEMBL14965986 | 0.86 | KCNJ1 (0.41) | PRKAA2ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL14965370 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRMLLT1HDAC6SMN1; SMN2 | |
| SCHEMBL14965754 | 0.85 | TSHR (0.47) | ALDH1A1TSHRMLLT1HDAC4HDAC6 | |
| SCHEMBL14965737 | 0.85 | CHRM1 (0.49) | ALDH1A1TSHRMLLT1HDAC4HDAC6 | |
| SCHEMBL14965722 | 0.84 | KLKB1 (0.48) | ALDH1A1CHRM3TSHRHDAC4HDAC6 |
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 |