Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.73 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.61 |
| ▸ | CTSD | P07339 | 3/20 | 0.51 |
| ▸ | CTSB | P07858 | 3/20 | 0.49 |
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 SCHEMBL3352495 | 0.99 | BACE1 (0.72) | BACE1BACE2CTSDCTSB | |
| SCHEMBL6647189 | 0.94 | BACE1 (0.69) | BACE1BACE2CTSDCTSB | |
| Hydrochloric Acid SCHEMBL3354902 | 0.93 | BACE1 (0.68) | BACE1BACE2CTSDCTSB | |
| SCHEMBL5346718 | 0.85 | BACE1 (1.00) | BACE1BACE2CTSD | |
| SCHEMBL5346714 | 0.85 | BACE1 (1.00) | BACE1BACE2CTSD | |
| SCHEMBL5373650 | 0.83 | BACE1 (0.71) | BACE1BACE2CTSD | |
| SCHEMBL5373656 | 0.83 | BACE1 (0.71) | BACE1BACE2CTSD | |
| SCHEMBL6649850 | 0.82 | BACE1 (0.73) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3351001 | 0.82 | BACE1 (0.70) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL3351004 | 0.82 | BACE1 (0.70) | BACE1BACE2CTSD |
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 |