Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CTSE | P14091 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14966080 | 0.84 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTGPR119BACE1 | |
| SCHEMBL6010677 | 0.79 | KCNH2 (0.46) | ALDH1A1LMNAMAPTGPR119CYP1A2 | |
| SCHEMBL14965864 | 0.79 | ITGB3 (0.39) | ALDH1A1LMNAKDM4E | |
| SCHEMBL14965802 | 0.78 | L3MBTL3 (0.43) | LMNA | |
| SCHEMBL14965608 | 0.78 | CHRM1 (0.48) | — | |
| SCHEMBL6010731 | 0.77 | KCNH2 (0.46) | ALDH1A1LMNAMAPTGPR119CYP1A2 | |
| SCHEMBL29256890 | 0.77 | PARP1 (0.40) | ALDH1A1LMNAMAPTGPR119PIK3CA | |
| SCHEMBL14966094 | 0.77 | PDE7A (0.33) | IRAK4 | |
| SCHEMBL14965688 | 0.76 | RBP4 (0.45) | ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL14966116 | 0.74 | MAPT (0.46) | ALDH1A1LMNAMAPTMTORCYP1A2 |
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 |