Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.38 |
| ▸ | CTSB | P07858 | 9/20 | 0.38 |
| ▸ | CTSD | P07339 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5579976 | 1.00 | BACE1 (0.38) | BACE1CTSBCTSDHTR2AMEN1 | |
| SCHEMBL3356157 | 0.83 | BACE1 (0.54) | BACE1CTSBCTSD | |
| SCHEMBL3356161 | 0.83 | BACE1 (0.54) | BACE1CTSBCTSD | |
| SCHEMBL5120694 | 0.83 | BACE1 (0.37) | BACE1CTSBCTSDHTR2A | |
| SCHEMBL5124829 | 0.81 | BACE1 (0.42) | BACE1CTSBCTSD | |
| SCHEMBL5127690 | 0.81 | BACE1 (0.43) | BACE1CTSBCTSD | |
| SCHEMBL5127687 | 0.81 | BACE1 (0.43) | BACE1CTSBCTSD | |
| SCHEMBL5117535 | 0.78 | CLK1 (0.39) | BACE1CTSBCTSDMEN1KMT2A | |
| SCHEMBL5124826 | 0.77 | BACE1 (0.39) | BACE1CTSBCTSD | |
| SCHEMBL5580030 | 0.76 | MAPT (0.41) | BACE1CTSBCTSDMEN1KMT2A |
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-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | claimed |