Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1464135 | 0.87 | BACE1 (0.41) | ALOX12AKR1B1MAOBAR | |
| SCHEMBL2377152 | 0.75 | AKR1B1 (0.39) | ALOX12AKR1B1MAOBARABCB1 | |
| SCHEMBL7958321 | 0.72 | MAOB (0.37) | ALOX12AKR1B1MAOB | |
| SCHEMBL2376503 | 0.72 | BACE1 (0.37) | ALOX12AKR1B1MAOB | |
| SCHEMBL2376505 | 0.72 | BACE1 (0.37) | ALOX12AKR1B1MAOB | |
| SCHEMBL12244973 | 0.71 | BACE1 (0.37) | ALOX12AKR1B1 | |
| SCHEMBL2375864 | 0.70 | BACE1 (0.41) | — | |
| SCHEMBL2375867 | 0.70 | BACE1 (0.41) | — | |
| SCHEMBL2376676 | 0.69 | BACE1 (0.42) | — | |
| SCHEMBL2377176 | 0.69 | BACE1 (0.42) | — |
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 |