Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.48 |
| ▸ | CTSD | P07339 | 6/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9931420 | 0.81 | BACE1 (0.57) | BACE1CTSDKCNH2CYP2D6 | |
| SCHEMBL9931422 | 0.81 | BACE1 (0.57) | BACE1CTSDKCNH2CYP2D6 | |
| SCHEMBL9932480 | 0.77 | BACE1 (0.56) | BACE1CTSDKCNH2CYP2D6 | |
| SCHEMBL9931783 | 0.69 | BACE1 (0.56) | BACE1CTSDCYP2D6BACE2 | |
| SCHEMBL9931522 | 0.69 | BACE1 (0.56) | BACE1CTSDCYP2D6BACE2 | |
| SCHEMBL9931992 | 0.68 | BACE1 (0.60) | BACE1CTSDKCNH2CYP2D6 | |
| SCHEMBL9931991 | 0.68 | BACE1 (0.60) | BACE1CTSDKCNH2CYP2D6 | |
| SCHEMBL9882582 | 0.68 | BACE1 (0.60) | BACE1CTSDKCNH2CYP2D6 | |
| SCHEMBL9931668 | 0.68 | BACE1 (0.72) | BACE1CTSDKCNH2CYP2D6 | |
| SCHEMBL9931666 | 0.68 | BACE1 (0.72) | BACE1CTSDKCNH2CYP2D6 |
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-2012071458-A1 | HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2012-05-31 | — | — | WO | disclosed |