Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CHRND | Q07001 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL934246 | 0.81 | ALDH1A1 (0.34) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL3691139 | 0.81 | ALDH1A1 (0.34) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL933050 | 0.76 | HCRTR1 (0.37) | BACE1 | |
| SCHEMBL932334 | 0.76 | HCRTR1 (0.37) | BACE1 | |
| Hydrochloric Acid SCHEMBL932779 | 0.74 | BACE1 (0.54) | CTSDBACE1 | |
| SCHEMBL6875209 | 0.73 | BACE1 (0.48) | BACE1 | |
| SCHEMBL14299100 | 0.73 | BACE1 (0.48) | BACE1 | |
| SCHEMBL933134 | 0.73 | BACE1 (0.48) | BACE1 | |
| SCHEMBL933387 | 0.72 | USP2 (0.34) | — | |
| SCHEMBL16418277 | 0.70 | BACE1 (0.38) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 |
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-2451793-A1 | BACE INHIBITORS | Eli Lilly and Company (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005738-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |