Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.53 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.52 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5925634 | 0.83 | PKM (0.54) | BACE1ERAP2LNPEP | |
| SCHEMBL11880637 | 0.79 | BACE1 (0.68) | BACE1ERAP2LNPEP | |
| SCHEMBL16993871 | 0.79 | BACE1 (0.68) | BACE1ERAP2LNPEP | |
| Hydrochloric Acid SCHEMBL5188432 | 0.78 | BACE1 (0.67) | BACE1ERAP2LNPEP | |
| SCHEMBL4610411 | 0.77 | BACE1 (0.57) | BACE1ERAP2LNPEP | |
| SCHEMBL28291198 | 0.76 | TP53 (0.52) | BACE1LNPEP | |
| SCHEMBL7584075 | 0.75 | BACE1 (0.57) | BACE1ERAP2LNPEP | |
| SCHEMBL7289933 | 0.74 | ALDH1A1 (0.56) | ERAP2LNPEP | |
| SCHEMBL7289943 | 0.74 | ALDH1A1 (0.56) | ERAP2LNPEP | |
| SCHEMBL1008927 | 0.74 | — | — |
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-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | claimed |