Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 17/20 | 0.45 |
| ▸ | CTSD | P07339 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL4549218 | 0.92 | BACE1 (0.47) | BACE1CTSDBACE2 | |
| SCHEMBL10186918 | 0.89 | BACE1 (0.37) | BACE1CTSDCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL4549171 | 0.85 | BACE1 (0.51) | BACE1CTSDBACE2 | |
| SCHEMBL7560586 | 0.84 | BACE1 (0.46) | BACE1CTSDBACE2 | |
| SCHEMBL4549211 | 0.83 | BACE1 (0.49) | BACE1CTSDBACE2 | |
| SCHEMBL4549158 | 0.82 | BACE1 (0.45) | BACE1CTSDBACE2 | |
| SCHEMBL7553294 | 0.81 | BACE1 (0.64) | BACE1CTSDBACE2 | |
| SCHEMBL8436781 | 0.81 | CYP11B2 (0.33) | BACE1CYP11B1CYP11B2 | |
| SCHEMBL7570060 | 0.80 | BACE1 (0.40) | BACE1CTSDCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL4549143 | 0.79 | BACE1 (0.48) | BACE1CTSDBACE2GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8168641-B2 | Aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-01 | — | — | US | disclosed |