Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.62 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.62 |
| ▸ | CTSD | P07339 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4829603 | 1.00 | BACE1 (0.62) | BACE1BACE2CTSD | |
| SCHEMBL4827699 | 0.99 | BACE1 (0.62) | BACE1BACE2CTSD | |
| SCHEMBL14156512 | 0.99 | BACE1 (0.62) | BACE1BACE2CTSD | |
| SCHEMBL14156557 | 0.97 | BACE1 (0.63) | BACE1BACE2CTSD | |
| SCHEMBL4829721 | 0.97 | BACE1 (0.63) | BACE1BACE2CTSD | |
| SCHEMBL4825328 | 0.94 | BACE1 (0.62) | BACE1BACE2CTSD | |
| SCHEMBL4823649 | 0.94 | BACE1 (0.64) | BACE1BACE2CTSD | |
| SCHEMBL8356655 | 0.94 | BACE1 (0.64) | BACE1BACE2CTSD | |
| SCHEMBL8356844 | 0.92 | BACE1 (0.62) | BACE1BACE2CTSD | |
| SCHEMBL4822029 | 0.92 | BACE1 (0.62) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7388118-B2 | Amine 1,2- and 1,3-diol compounds | PHAMACIA & UPJOHN COMPANY LLC (US) | 2008-06-17 | — | — | US | disclosed |
| US-7388118-B2 | Amine 1,2- and 1,3-diol compounds | PHAMACIA & UPJOHN COMPANY LLC (US) | 2008-06-17 | — | — | US | disclosed |
| EP-1453792-B1 | AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARM INC (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2003043975-A1 | AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-30 | — | — | WO | disclosed |