Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.63 |
| ▸ | BACE1 | P56817 | 15/20 | 0.59 |
| ▸ | CTSD | P07339 | 12/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3350845 | 0.99 | BCHE (0.62) | BCHEBACE1CTSD | |
| SCHEMBL13308345 | 0.93 | BCHE (0.61) | BCHEBACE1CTSD | |
| SCHEMBL715242 | 0.90 | BCHE (0.69) | BCHEBACE1CTSD | |
| SCHEMBL255923 | 0.90 | BCHE (0.69) | BCHEBACE1CTSD | |
| SCHEMBL3511029 | 0.90 | BCHE (0.69) | BCHEBACE1CTSD | |
| SCHEMBL6703596 | 0.89 | BACE1 (0.74) | BCHEBACE1CTSD | |
| Hydrochloric Acid SCHEMBL3348228 | 0.88 | BACE1 (0.73) | BCHEBACE1CTSD | |
| SCHEMBL5226047 | 0.83 | BCHE (0.60) | BCHEBACE1CTSD | |
| SCHEMBL5226037 | 0.83 | BCHE (0.60) | BCHEBACE1CTSD | |
| SCHEMBL13308346 | 0.82 | BACE1 (0.72) | BCHEBACE1CTSD |
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-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |