Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.59 |
| ▸ | CTSD | P07339 | 11/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5389539 | 1.00 | BACE1 (0.59) | BACE1CTSDCYP3A4BACE2 | |
| Hydrochloric Acid SCHEMBL3348508 | 0.99 | BACE1 (0.59) | BACE1CTSDCYP3A4BACE2 | |
| Hydrochloric Acid SCHEMBL3354300 | 0.99 | BACE1 (0.59) | BACE1CTSDCYP3A4BACE2 | |
| Hydrochloric Acid SCHEMBL3348502 | 0.99 | BACE1 (0.59) | BACE1CTSDCYP3A4BACE2 | |
| Hydrochloric Acid SCHEMBL3354306 | 0.99 | BACE1 (0.59) | BACE1CTSDCYP3A4BACE2 | |
| SCHEMBL5379914 | 0.93 | BACE1 (0.52) | BACE1CTSDCYP3A4BACE2 | |
| SCHEMBL5379921 | 0.93 | BACE1 (0.52) | BACE1CTSDCYP3A4BACE2 | |
| SCHEMBL5373652 | 0.92 | BACE1 (0.59) | BACE1CTSDCYP3A4 | |
| SCHEMBL5373648 | 0.92 | BACE1 (0.59) | BACE1CTSDCYP3A4 | |
| Hydrochloric Acid SCHEMBL3349473 | 0.92 | BACE1 (0.52) | BACE1CTSDCYP3A4BACE2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | claimed |
| 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 |