Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 7/20 | 0.35 |
| ▸ | BACE1 | P56817 | 3/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 5/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15974082 | 0.84 | SMN1; SMN2 (0.40) | HSD11B1BACE1CTSDCYP1A2NAAA | |
| SCHEMBL7511486 | 0.77 | BACE1 (0.37) | BACE1CTSDCYP1A2DAO | |
| SCHEMBL12593568 | 0.77 | BACE1 (0.37) | BACE1CTSDCYP1A2DAO | |
| SCHEMBL10305529 | 0.75 | BACE1 (0.44) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL7599589 | 0.75 | BACE1 (0.44) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL12502570 | 0.70 | BACE1 (0.35) | BACE1CTSDNAAAPRMT5WDR77 | |
| SCHEMBL8957956 | 0.67 | HSD11B1 (0.37) | HSD11B1 | |
| SCHEMBL8266842 | 0.66 | — | — | |
| SCHEMBL15974916 | 0.66 | BACE1 (0.41) | HSD11B1BACE1CTSDCYP1A2NAAA | |
| SCHEMBL7511526 | 0.64 | BACE1 (0.48) | BACE1CTSDPRMT5WDR77 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |
| EP-2343069-B1 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME (US) | 2016-03-02 | — | — | EP | disclosed |
| EP-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |