Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 13/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3479451 | 0.89 | BACE1 (0.54) | BACE1 | |
| SCHEMBL8203685 | 0.82 | BACE1 (0.44) | BACE1CACNA1FCHRM2ADRB1DRD2 | |
| SCHEMBL8209469 | 0.82 | BACE1 (0.43) | BACE1CACNA1FCHRM2ADRB1DRD2 | |
| SCHEMBL8197624 | 0.79 | BACE1 (0.51) | BACE1CACNA1FCHRM2ADRB1DRD2 | |
| SCHEMBL594221 | 0.77 | BACE1 (0.49) | BACE1CACNA1FCHRM2ADRB1DRD2 | |
| SCHEMBL8269167 | 0.77 | BACE1 (0.49) | BACE1CACNA1FCHRM2ADRB1DRD2 | |
| SCHEMBL15146194 | 0.76 | BACE1 (0.45) | BACE1CACNA1FCHRM2ADRB1DRD2 | |
| SCHEMBL3479492 | 0.75 | BACE1 (0.57) | BACE1MEN1KMT2A | |
| SCHEMBL3479479 | 0.74 | BACE1 (0.55) | BACE1KMT2A | |
| SCHEMBL3479339 | 0.74 | BACE1 (0.59) | BACE1 |
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-2008030412-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |