Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.81 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14556193 | 1.00 | BACE1 (0.81) | BACE1CCR5AKR1C3AKR1C1RIPK1 | |
| SCHEMBL3741335 | 1.00 | BACE1 (0.81) | BACE1CCR5AKR1C3AKR1C1RIPK1 | |
| SCHEMBL3734306 | 0.90 | BACE1 (0.78) | BACE1CCR5RIPK1HDAC2DPP4 | |
| SCHEMBL3735022 | 0.90 | BACE1 (0.89) | BACE1CCR5RIPK1ADAM10ERBB2 | |
| SCHEMBL14556185 | 0.89 | BACE1 (0.78) | BACE1CCR5RIPK1 | |
| SCHEMBL4230887 | 0.89 | BACE1 (0.78) | BACE1CCR5RIPK1 | |
| SCHEMBL3730741 | 0.89 | BACE1 (1.00) | BACE1CCR5RIPK1ADAM10ERBB2 | |
| SCHEMBL3747470 | 0.89 | BACE1 (1.00) | BACE1CCR5RIPK1ADAM10ERBB2 | |
| SCHEMBL15998594 | 0.89 | BACE1 (0.78) | BACE1CCR5RIPK1HDAC2DPP4 | |
| SCHEMBL3747388 | 0.89 | BACE1 (0.78) | BACE1CCR5RIPK1 |
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-2231558-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2010-09-29 | — | — | EP | claimed |
| WO-2009078932-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-06-25 | — | — | WO | claimed |