Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | KLK1 | P06870 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966210 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HDAC4HDAC6TSHRROCK2 | |
| SCHEMBL14965754 | 0.91 | TSHR (0.47) | ALDH1A1HDAC4HDAC6TSHRMAPT | |
| SCHEMBL14965591 | 0.89 | CHRM3 (0.47) | CHRM3ALDH1A1HDAC4HDAC6TSHR | |
| SCHEMBL14965538 | 0.88 | HDAC4 (0.49) | CHRM3ALDH1A1HDAC4HDAC6TSHR | |
| SCHEMBL14966045 | 0.86 | TSHR (0.50) | CHRM3ALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL14965737 | 0.84 | CHRM1 (0.49) | ALDH1A1HDAC4HDAC6TSHR | |
| SCHEMBL14965927 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPTSMN1; SMN2HIF1A | |
| SCHEMBL14965722 | 0.83 | KLKB1 (0.48) | CHRM3ALDH1A1HDAC4HDAC6TSHR | |
| SCHEMBL14965800 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HDAC4HDAC6TSHRSMN1; SMN2 | |
| SCHEMBL14966118 | 0.83 | ALDH1A1 (0.39) | ALDH1A1MAPTHTTSMN1; 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 1 patent. 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 |