Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL14966113 | 0.86 | POLB (0.39) | ALDH1A1SMN1; SMN2POLBHTTAHR | |
| SCHEMBL14966168 | 0.84 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2POLBCHRM5 | |
| SCHEMBL14965582 | 0.83 | HSD17B10 (0.38) | ALDH1A1TDP1POLBAHRL3MBTL1 | |
| SCHEMBL14965756 | 0.83 | PKM (0.40) | ALDH1A1KDM4ESMN1; SMN2POLBCYP11B2 | |
| SCHEMBL14965889 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2TDP1POLB | |
| SCHEMBL14965791 | 0.82 | KDM4E (0.36) | ALDH1A1KDM4ETDP1POLBAHR | |
| SCHEMBL14966005 | 0.82 | PKM (0.45) | ALDH1A1KDM4ESMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL14969456 | 0.82 | POLB (0.43) | ALDH1A1KDM4ESMN1; SMN2POLB | |
| SCHEMBL14965832 | 0.82 | NPC1 (0.36) | ALDH1A1SMN1; SMN2POLBAHR | |
| SCHEMBL14966161 | 0.81 | NPC1 (0.42) | ALDH1A1KDM4ESMN1; SMN2POLBHTT |
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 |