Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL16341989 | 1.00 | AKR1B1 (0.36) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16341991 | 1.00 | AKR1B1 (0.36) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2595 | 0.84 | BACE1 (0.36) | ALDH1A1SMN1; SMN2GAABACE2BACE1 | |
| SCHEMBL9899510 | 0.84 | BACE1 (0.35) | ALDH1A1BACE2BACE1MAPTL3MBTL1 | |
| SCHEMBL2594 | 0.84 | BACE1 (0.36) | ALDH1A1SMN1; SMN2GAABACE2BACE1 | |
| SCHEMBL9899507 | 0.84 | BACE1 (0.35) | ALDH1A1BACE2BACE1MAPTL3MBTL1 | |
| SCHEMBL17507414 | 0.82 | BACE2 (0.39) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17507410 | 0.82 | BACE2 (0.37) | AKR1B1ALDH1A1GAABACE2BACE1 | |
| SCHEMBL17507411 | 0.82 | BACE2 (0.39) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17507412 | 0.82 | BACE2 (0.37) | AKR1B1ALDH1A1GAABACE2BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2485590-B1 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2015-01-07 | — | — | EP | disclosed |