Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.49 |
| ▸ | CTSD | P07339 | 3/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 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 | |
|---|---|---|---|---|
| SCHEMBL5219279 | 0.90 | CTSD (0.51) | BACE1CTSDBACE2CYP2C9CYP3A4 | |
| SCHEMBL5216173 | 0.80 | CTSD (0.49) | BACE1CTSDBACE2CYP2C9CYP3A4 | |
| SCHEMBL5222810 | 0.79 | BACE1 (0.51) | BACE1CTSDBACE2CYP2C9CYP3A4 | |
| SCHEMBL5218380 | 0.79 | PIK3C3 (0.39) | BACE1CTSDBACE2MAPTPTGER3 | |
| SCHEMBL5218370 | 0.79 | PTGER3 (0.37) | BACE1CTSDBACE2MAPTPTGER3 | |
| SCHEMBL5221959 | 0.78 | KDM4E (0.41) | MAPTPTGER3HPGDALDH1A1KDM4E | |
| SCHEMBL5218022 | 0.76 | BACE1 (0.50) | BACE1CTSDBACE2CYP2C9CYP3A4 | |
| SCHEMBL5379366 | 0.76 | SCN9A (0.43) | BACE1CTSDBACE2SIGMAR1 | |
| SCHEMBL15910578 | 0.75 | KDM4E (0.48) | CYP2C9MAPTPTGER3ALDH1A1KDM4E | |
| SCHEMBL5222417 | 0.75 | CYP2C9 (0.42) | BACE1CTSDBACE2CYP2C9CYP3A4 |
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-1567488-B1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LTD (GB) | 2007-02-21 | — | — | EP | disclosed |