Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.77 |
| ▸ | CTSD | P07339 | 19/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.77 |
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 SCHEMBL310721 | 0.99 | BACE1 (0.76) | BACE1CTSDCYP3A4 | |
| SCHEMBL309408 | 0.82 | BACE1 (0.61) | BACE1CTSDCYP3A4 | |
| SCHEMBL309888 | 0.82 | BACE1 (0.75) | BACE1CTSDCYP3A4 | |
| SCHEMBL310620 | 0.82 | BACE1 (0.76) | BACE1CTSDCYP3A4 | |
| Hydrochloric Acid SCHEMBL309893 | 0.82 | BACE1 (0.61) | BACE1CTSDCYP3A4 | |
| Hydrochloric Acid SCHEMBL310432 | 0.81 | BACE1 (0.75) | BACE1CTSDCYP3A4 | |
| SCHEMBL309403 | 0.81 | BACE1 (0.75) | BACE1CTSDCYP3A4 | |
| SCHEMBL309242 | 0.80 | BACE1 (0.61) | BACE1CTSDCYP3A4 | |
| SCHEMBL309727 | 0.80 | BACE1 (0.76) | BACE1CTSDCYP3A4 | |
| SCHEMBL309688 | 0.79 | BACE1 (0.50) | BACE1CTSDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8093406-B2 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2012-01-10 | — | — | US | claimed |
| US-8093406-B2 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2012-01-10 | — | — | US | disclosed |