Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 5/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | XIAP | P98170 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4429066 | 0.99 | NOTUM (0.41) | NOTUMBRD4XIAPPOLBSCN9A | |
| Hydrochloric Acid SCHEMBL4429072 | 0.99 | NOTUM (0.41) | NOTUMBRD4XIAPPOLBSCN9A | |
| Hydrochloric Acid SCHEMBL5541728 | 0.84 | MAT2A (0.39) | BRD4POLBSCN9AALDH1A1KCNH2 | |
| SCHEMBL4425590 | 0.84 | NOTUM (0.46) | NOTUMBRD4XIAPPOLBALDH1A1 | |
| SCHEMBL4425596 | 0.84 | NOTUM (0.46) | NOTUMBRD4XIAPPOLBALDH1A1 | |
| SCHEMBL4565038 | 0.83 | SCN9A (0.35) | XIAPSCN9AKCNH2SCN10A | |
| SCHEMBL8213620 | 0.83 | SCN9A (0.37) | XIAPSCN9AKCNH2SCN10A | |
| SCHEMBL14599943 | 0.83 | XIAP (0.43) | NOTUMBRD4XIAPPOLBSCN9A | |
| Hydrochloric Acid SCHEMBL4565037 | 0.82 | SCN9A (0.34) | XIAPSCN9AKCNH2SCN10A | |
| Hydrochloric Acid SCHEMBL4992340 | 0.82 | SCN9A (0.34) | XIAPSCN9AKCNH2SCN10A |
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-1711470-B1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE | HOFFMANN LA ROCHE (CH) | 2009-04-15 | — | — | EP | disclosed |