Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MLLT1 | Q03111 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MLLT3 | P42568 | 1/20 | 0.40 |
| ▸ | YEATS2 | Q9ULM3 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965800 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHRMLLT1HDAC4HDAC6 | |
| SCHEMBL14965538 | 0.92 | HDAC4 (0.49) | ALDH1A1TSHRMLLT1HDAC4HDAC6 | |
| SCHEMBL14965611 | 0.89 | TSHR (0.61) | ALDH1A1TSHRPOLBMAPTMLLT1 | |
| SCHEMBL14965856 | 0.89 | PRKAA2 (0.46) | ALDH1A1TSHRMLLT1HDAC4HDAC6 | |
| SCHEMBL14965370 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TSHRMAPTMLLT1HDAC6 | |
| SCHEMBL14965754 | 0.87 | TSHR (0.47) | ALDH1A1TSHRPOLBMAPTMMP13 | |
| SCHEMBL14965737 | 0.87 | CHRM1 (0.49) | ALDH1A1TSHRMLLT1HDAC4HDAC6 | |
| SCHEMBL14965722 | 0.86 | KLKB1 (0.48) | ALDH1A1TSHRHDAC4HDAC6SMN1; SMN2 | |
| SCHEMBL14966204 | 0.85 | SLC2A1 (0.42) | ALDH1A1TSHRMAPTHDAC4HDAC6 | |
| SCHEMBL14965796 | 0.85 | MCHR1 (0.45) | ALDH1A1MAPTHDAC4HDAC6MEN1 |
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 |