Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 6/20 | 0.32 |
| ▸ | NOS1 | P29475 | 6/20 | 0.32 |
| ▸ | NOS2 | P35228 | 6/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28159759 | 0.77 | RXRA (0.34) | PIK3CACACNA1HALDH1A1 | |
| SCHEMBL28824398 | 0.76 | PDE2A (0.32) | — | |
| SCHEMBL28043037 | 0.66 | HEXA (0.33) | PIK3CAALDH1A1 | |
| SCHEMBL16398422 | 0.65 | CYP1A2 (0.37) | PIK3CAALDH1A1 | |
| SCHEMBL3934799 | 0.64 | BACE1 (0.38) | PIK3CANOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL16398534 | 0.63 | NUDT1 (0.42) | PIK3CANOS3NOS2ALDH1A1 | |
| SCHEMBL19241056 | 0.63 | NOS3 (0.59) | NOS3NOS1NOS2 | |
| SCHEMBL19773357 | 0.62 | ALDH1A1 (0.39) | PIK3CAALDH1A1 | |
| SCHEMBL16397831 | 0.61 | TACR1 (0.36) | ALDH1A1 | |
| SCHEMBL3685659 | 0.61 | CASP1 (0.54) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105263923-A | Pyrimidine compounds and their use as gamma secretase modulators | Acturum Life Science AB | 2016-01-20 | — | — | CN | disclosed |