Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4180086 | 0.83 | TSHR (0.33) | BACE1GRIK1GRIK2CYP1A2CYP3A4 | |
| SCHEMBL11973156 | 0.82 | EP300 (0.43) | TSHR | |
| SCHEMBL11973153 | 0.82 | EP300 (0.43) | TSHR | |
| SCHEMBL21625680 | 0.81 | BACE1 (0.32) | BACE1GRIK1GRIK2CYP1A2CYP3A4 | |
| SCHEMBL21625679 | 0.81 | BACE1 (0.32) | BACE1GRIK1GRIK2CYP1A2CYP3A4 | |
| SCHEMBL28052938 | 0.81 | CYP3A4 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL11972801 | 0.80 | EP300 (0.47) | TSHR | |
| SCHEMBL15417817 | 0.79 | — | — | |
| SCHEMBL22942358 | 0.79 | GRIK1 (0.38) | BACE1GRIK1GRIK2 | |
| SCHEMBL11242313 | 0.79 | TSHR (0.33) | GRIK1GRIK2TSHR |
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-6013618-A | ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS | PROCTER & GAMBLE COMPANY (US) | 2000-01-11 | — | — | US | disclosed |