Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7948880 | 0.89 | BACE1 (0.44) | BACE1BACE2CTSDAKR1B1 | |
| SCHEMBL2376874 | 0.89 | BACE1 (0.42) | BACE1BACE2SCN9ACTSDCYP19A1 | |
| SCHEMBL7962869 | 0.87 | BACE1 (0.46) | BACE1SCN9ACTSDAKR1B1 | |
| SCHEMBL1828869 | 0.82 | BACE1 (0.50) | BACE1CTSD | |
| SCHEMBL2377859 | 0.82 | BACE1 (0.50) | BACE1CTSD | |
| SCHEMBL12244601 | 0.82 | BACE1 (0.42) | BACE1BACE2CTSD | |
| SCHEMBL2378059 | 0.82 | BACE1 (0.50) | BACE1CTSD | |
| SCHEMBL12244903 | 0.82 | BACE1 (0.42) | BACE1BACE2CTSD | |
| SCHEMBL12245396 | 0.82 | BACE1 (0.42) | BACE1BACE2CTSD | |
| SCHEMBL7959217 | 0.79 | BACE1 (0.35) | BACE1BACE2CTSDAKR1B1 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |