Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9611339 | 1.00 | BACE1 (0.38) | BACE1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8534904 | 0.86 | BACE1 (0.39) | BACE1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8534902 | 0.86 | BACE1 (0.39) | BACE1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9611303 | 0.86 | BACE1 (0.39) | BACE1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9611300 | 0.86 | BACE1 (0.39) | BACE1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9611299 | 0.86 | BACE1 (0.39) | BACE1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16487867 | 0.79 | BACE1 (0.44) | BACE1 | |
| SCHEMBL8532731 | 0.79 | BACE1 (0.44) | BACE1 | |
| SCHEMBL9923754 | 0.72 | BACE1 (0.35) | BACE1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9611338 | 0.69 | BACE1 (0.34) | BACE1 |
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-2643325-A1 | SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | Amgen Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012071279-A1 | SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2012-05-31 | — | — | WO | disclosed |