Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.51 |
| ▸ | CTSD | P07339 | 10/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5121993 | 1.00 | BACE1 (0.51) | BACE1CTSDCYP3A4 | |
| SCHEMBL5121994 | 0.81 | BACE1 (0.52) | BACE1CTSDCYP3A4 | |
| SCHEMBL3357710 | 0.80 | BACE1 (0.65) | BACE1CTSDCYP3A4 | |
| SCHEMBL3352362 | 0.80 | BACE1 (0.65) | BACE1CTSDCYP3A4 | |
| SCHEMBL2867154 | 0.80 | BACE1 (0.65) | BACE1CTSDCYP3A4 | |
| SCHEMBL5140502 | 0.77 | BACE1 (0.44) | BACE1CTSDCYP3A4 | |
| SCHEMBL5131863 | 0.77 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL6170397 | 0.77 | BACE1 (0.41) | BACE1CTSD | |
| SCHEMBL5129713 | 0.76 | BACE1 (0.40) | BACE1CTSDCYP3A4 | |
| Hydrochloric Acid SCHEMBL3352858 | 0.73 | BACE1 (0.54) | BACE1CTSDCYP3A4 |
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-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |