Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.41 |
| ▸ | CTSD | P07339 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 7/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 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 | |
|---|---|---|---|---|
| SCHEMBL5124821 | 0.84 | BACE1 (0.39) | BACE1CTSDCTSBTSPO | |
| SCHEMBL5124834 | 0.83 | BACE1 (0.39) | BACE1CTSDCTSBTSPORIPK1 | |
| SCHEMBL14577484 | 0.83 | BACE1 (0.39) | BACE1CTSDCTSB | |
| SCHEMBL5130898 | 0.83 | BACE1 (0.40) | BACE1CTSDCTSBGRIN2DGRIN3B | |
| SCHEMBL13306617 | 0.83 | BACE1 (0.39) | BACE1CTSDCTSB | |
| SCHEMBL5126194 | 0.83 | BACE1 (0.53) | BACE1CTSD | |
| SCHEMBL5130991 | 0.82 | BACE1 (0.42) | BACE1CTSDCTSB | |
| SCHEMBL5125624 | 0.82 | BACE1 (0.38) | BACE1CTSDCTSB | |
| SCHEMBL5117463 | 0.82 | BACE1 (0.38) | BACE1CTSDCTSBTSPOMEN1 | |
| SCHEMBL5127774 | 0.82 | BACE1 (0.42) | BACE1CTSDCTSBMEN1KMT2A |
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 |