Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.75 |
| ▸ | CTSD | P07339 | 7/20 | 0.62 |
| ▸ | APP | P05067 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2154463 | 1.00 | BACE1 (0.75) | BACE1CTSDAPPCYP2D6BACE2 | |
| SCHEMBL2153641 | 0.88 | BACE1 (0.74) | BACE1 | |
| SCHEMBL15361886 | 0.88 | BACE1 (0.58) | BACE1CTSDAPPCYP2D6BACE2 | |
| SCHEMBL360403 | 0.86 | BACE1 (1.00) | BACE1 | |
| SCHEMBL360794 | 0.86 | BACE1 (1.00) | BACE1 | |
| SCHEMBL2153909 | 0.84 | BACE1 (0.72) | BACE1CTSDAPPCYP2D6BACE2 | |
| SCHEMBL2153896 | 0.82 | BACE1 (0.75) | BACE1CTSD | |
| SCHEMBL2153418 | 0.82 | BACE1 (0.75) | BACE1CTSD | |
| SCHEMBL2153332 | 0.81 | BACE1 (0.55) | BACE1 | |
| SCHEMBL2153105 | 0.81 | BACE1 (0.55) | BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011080176-A1 | PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2011-07-07 | — | — | WO | claimed |
| WO-2011080176-A1 | PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2011-07-07 | — | — | WO | disclosed |