Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7537341 | 0.84 | BACE1 (0.53) | BACE1TSHRCYP2C19 | |
| SCHEMBL7526262 | 0.81 | BACE1 (0.49) | BACE1 | |
| SCHEMBL7568753 | 0.79 | BACE1 (0.59) | BACE1 | |
| SCHEMBL7537546 | 0.76 | BACE1 (0.55) | BACE1 | |
| SCHEMBL10121036 | 0.75 | BACE1 (0.46) | BACE1 | |
| SCHEMBL7531630 | 0.75 | BACE1 (0.56) | BACE1 | |
| SCHEMBL8244505 | 0.74 | BACE1 (0.43) | BACE1 | |
| SCHEMBL12504734 | 0.74 | BACE1 (0.50) | BACE1 | |
| SCHEMBL7543104 | 0.74 | BACE1 (0.44) | BACE1 | |
| SCHEMBL7528178 | 0.73 | BACE1 (0.48) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |