Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.36 |
| ▸ | HAO2 | Q9NYQ3 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 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 | |
|---|---|---|---|---|
| SCHEMBL492585 | 0.81 | CTNNB1 (0.48) | NPC1CTNNB1WNT3AKDM4EMAPT | |
| SCHEMBL16240884 | 0.75 | CTNNB1 (0.44) | CTNNB1WNT3AKDM4ESTAT3HIF1A | |
| SCHEMBL1967918 | 0.73 | GPR17 (0.43) | CTNNB1WNT3AKDM4ESTAT3HIF1A | |
| SCHEMBL28497966 | 0.73 | PARP1 (0.45) | CTNNB1WNT3AKDM4EMAPTSTAT3 | |
| SCHEMBL17423703 | 0.72 | NR4A2 (0.40) | CTNNB1WNT3AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL570533 | 0.72 | HAO1 (0.50) | CTNNB1WNT3AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL28503102 | 0.72 | PARP1 (0.44) | CTNNB1WNT3AKDM4EMAPTSTAT3 | |
| SCHEMBL7374273 | 0.72 | GAA (0.54) | GAAPRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL6751718 | 0.71 | SMN1; SMN2 (0.39) | NPC1RAB9AMAPK8CTNNB1WNT3A | |
| Hydrochloric Acid SCHEMBL9444673 | 0.71 | HAO1 (0.49) | CTNNB1WNT3AKDM4ESMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2336128-A1 | Benzoisothiazoles and preparation and uses thereof | Memory Pharmaceuticals Corporation (US) | 2011-06-22 | — | — | EP | disclosed |