Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.64 |
| ▸ | CTSD | P07339 | 6/20 | 0.64 |
| ▸ | CTSE | P14091 | 4/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL2349979 | 0.86 | BACE1 (0.73) | BACE1CTSDCTSE | |
| SCHEMBL2353525 | 0.83 | BACE1 (0.68) | BACE1CTSDCTSE | |
| SCHEMBL2351551 | 0.82 | BACE1 (0.68) | BACE1CTSDCTSE | |
| SCHEMBL2354066 | 0.82 | BACE1 (0.69) | BACE1CTSDCTSE | |
| SCHEMBL2352364 | 0.82 | BACE1 (0.69) | BACE1CTSDCTSE | |
| SCHEMBL2355050 | 0.82 | BACE1 (0.69) | BACE1CTSDCTSE | |
| SCHEMBL5227437 | 0.82 | BACE1 (0.69) | BACE1CTSDCTSE | |
| SCHEMBL5798550 | 0.81 | BACE1 (0.68) | BACE1CTSDCTSE | |
| SCHEMBL2349597 | 0.80 | BACE1 (0.63) | BACE1CTSDCTSE | |
| SCHEMBL4915887 | 0.78 | BACE1 (0.74) | BACE1CTSDCTSE |
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-8008250-B2 | 1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-9,10-dimethyl-2-oxa-9,12-diaza-bicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione; secretase inhibitor; neurological, vascular disorders, beta-amyloid generation/aggregation; Alzheimer's disease, Down's Syndrome, cognitive impairment, amyloid neuropathies | NOVARTIS AG (CH) | 2011-08-30 | — | — | US | claimed |
| US-8008250-B2 | 1-Hydroxy-2-(3-isopropyl-benzylamino)-ethyl]-9,10-dimethyl-2-oxa-9,12-diaza-bicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione; secretase inhibitor; neurological, vascular disorders, beta-amyloid generation/aggregation; Alzheimer's disease, Down's Syndrome, cognitive impairment, amyloid neuropathies | NOVARTIS AG (CH) | 2011-08-30 | — | — | US | disclosed |
| EP-1838680-A2 | MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006074940-A2 | MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |