Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | NR1D1 | P20393 | 3/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965801 | 0.86 | TSHR (0.44) | ALDH1A1KDM4EMAPTHPGDMAPK1 | |
| SCHEMBL14012798 | 0.82 | CHRNB2 (0.49) | CHRNB2CHRNA4RIPK1CHRNA7NR1D1 | |
| SCHEMBL14965583 | 0.80 | TSHR (0.42) | RIPK1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL14966184 | 0.79 | CYP1A2 (0.39) | ALDH1A1KDM4EMAPTHPGDMAPK1 | |
| SCHEMBL14965826 | 0.78 | MEN1 (0.60) | NR1D1NR1H3ALDH1A1KDM4EMAPT | |
| SCHEMBL14966003 | 0.77 | CETP (0.50) | ALDH1A1KDM4EMAPTHPGDMAPK1 | |
| SCHEMBL14965600 | 0.77 | MAPT (0.48) | NR1H3KDM4EMAPTSMN1; SMN2TSHR | |
| SCHEMBL14965993 | 0.77 | TSHR (0.44) | RIPK1PDCD1CD274ALDH1A1KDM4E | |
| SCHEMBL14965965 | 0.77 | MEN1 (0.43) | NR1D1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL14965759 | 0.76 | MEP1B (0.48) | ALDH1A1KDM4EMAPTHPGDMAPK1 |
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 | disclosed |