Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.80 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | ADAM10 | O14672 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3729031 | 0.89 | BACE1 (1.00) | BACE1CCR5ADAM10MMP2MMP8 | |
| SCHEMBL3730868 | 0.84 | BACE1 (0.80) | BACE1CCR5ADAM10MMP2MMP8 | |
| SCHEMBL3730866 | 0.84 | BACE1 (0.80) | BACE1CCR5ADAM10MMP2MMP8 | |
| SCHEMBL26162917 | 0.79 | BACE1 (0.67) | BACE1ROCK2SIGMAR1HRH3 | |
| SCHEMBL16297557 | 0.78 | BACE1 (0.74) | BACE1ADAM10MMP2MMP8MMP12 | |
| SCHEMBL3736887 | 0.77 | BACE1 (1.00) | BACE1CCR5ADAM10MMP2MMP8 | |
| SCHEMBL3734291 | 0.76 | BACE1 (0.69) | BACE1CCR5ADAM10MMP2MMP8 | |
| SCHEMBL3734292 | 0.76 | BACE1 (0.69) | BACE1CCR5ADAM10MMP2MMP8 | |
| SCHEMBL3742285 | 0.74 | BACE1 (0.66) | BACE1CCR5ADAM10MMP2MMP8 | |
| SCHEMBL3742284 | 0.74 | BACE1 (0.66) | BACE1CCR5ADAM10MMP2MMP8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |