Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7516869 | 0.94 | BACE1 (0.55) | BACE1HDAC6NR3C2ATMPTPN1 | |
| SCHEMBL17568784 | 0.89 | BACE1 (0.45) | BACE1HDAC6ATMALDH1A1L3MBTL1 | |
| SCHEMBL7524106 | 0.87 | BACE1 (0.67) | BACE1HDAC6L3MBTL1 | |
| SCHEMBL13722748 | 0.86 | BACE1 (0.50) | BACE1PTPN1ALDH1A1RORCKMT2A | |
| SCHEMBL17568772 | 0.85 | BACE1 (0.42) | BACE1HDAC6ATML3MBTL1KMT2A | |
| SCHEMBL7524743 | 0.84 | BACE1 (0.58) | BACE1NR3C2PTPN1KMT2AMEN1 | |
| SCHEMBL7517002 | 0.82 | SMN1; SMN2 (0.50) | BACE1NR3C2ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL10305492 | 0.82 | BACE1 (0.46) | BACE1HDAC6NR3C2PTPN1ALDH1A1 | |
| SCHEMBL7516414 | 0.80 | BACE1 (0.42) | BACE1HDAC6ALDH1A1KMT2AMAPT | |
| SCHEMBL7516805 | 0.79 | BACE1 (0.47) | BACE1HDAC6NR3C2ATMPTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2006065277-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2006-06-22 | — | — | WO | disclosed |