Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 4/20 | 0.42 |
| ▸ | BACE1 | P56817 | 4/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 5/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | CALCA | P06881 | 2/20 | 0.33 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5221784 | 0.89 | CTSD (0.42) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5221190 | 0.88 | CTSD (0.34) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5220634 | 0.85 | BACE1 (0.52) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5223174 | 0.81 | BACE1 (0.49) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5221780 | 0.77 | CTSD (0.34) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5218901 | 0.77 | BACE1 (0.40) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5259083 | 0.75 | POLB (0.41) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5217940 | 0.75 | POLB (0.57) | CTSDBACE1BACE2POLBTP53 | |
| SCHEMBL5220629 | 0.74 | BACE1 (0.43) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5222900 | 0.73 | CTSD (0.37) | CTSDBACE1BACE2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567488-B1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LTD (GB) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005113525-A1 | N, N’-SUBSTITUTED-1,3-DIAMINO-2-OXOPROPANE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND USE | GLAXO GROUP LIMITED (GB) | 2005-12-01 | — | — | WO | disclosed |