Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 15/20 | 0.44 |
| ▸ | CTSD | P07339 | 13/20 | 0.44 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL13475796 | 0.90 | BACE1 (0.45) | KDM4EALDH1A1PKMBACE1CTSD | |
| SCHEMBL7538417 | 0.90 | BACE1 (0.45) | KDM4EALDH1A1PKMBACE1CTSD | |
| SCHEMBL7538463 | 0.90 | BACE1 (0.45) | KDM4EALDH1A1PKMBACE1CTSD | |
| SCHEMBL13475791 | 0.90 | BACE1 (0.45) | KDM4EALDH1A1PKMBACE1CTSD | |
| SCHEMBL12174373 | 0.90 | BACE1 (0.45) | KDM4EALDH1A1PKMBACE1CTSD | |
| SCHEMBL7538420 | 0.90 | BACE1 (0.45) | KDM4EALDH1A1PKMBACE1CTSD | |
| SCHEMBL7534142 | 0.90 | BACE1 (0.45) | KDM4EALDH1A1PKMBACE1CTSD | |
| SCHEMBL10121023 | 0.90 | BACE1 (0.47) | KDM4EBACE1CTSDGAA | |
| SCHEMBL10121024 | 0.90 | BACE1 (0.47) | KDM4EBACE1CTSDGAA | |
| SCHEMBL7533208 | 0.83 | BACE1 (0.43) | KDM4EALDH1A1PKMBACE1CTSD |
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 |
|---|---|---|---|---|---|---|---|
| US-8178513-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-15 | — | — | US | disclosed |