Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4277731 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1CA1CA2 | |
| SCHEMBL28587801 | 0.95 | CYP1A2 (0.44) | CYP1A2CYP2D6ALDH1A1CA1CA2 | |
| SCHEMBL19424835 | 0.84 | CYP1A2 (0.38) | CYP1A2CYP2D6CA1CA2CA4 | |
| SCHEMBL5547886 | 0.81 | CA1 (0.50) | CYP1A2CYP2D6ALDH1A1CA1CA2 | |
| SCHEMBL3003084 | 0.80 | CYP1A2 (0.37) | CYP1A2CYP2D6 | |
| SCHEMBL25567332 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL19434115 | 0.78 | CA1 (0.46) | CYP1A2CYP2D6CA1CA2CA4 | |
| SCHEMBL2688034 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2D6CA1CA2CA4 | |
| SCHEMBL7989298 | 0.77 | — | — | |
| SCHEMBL30342933 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2D6ALDH1A1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0990634-B1 | ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES | DAICEL CHEM (JP) | 2013-04-10 | — | — | EP | disclosed |
| US-6429314-B1 | USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-06 | — | — | US | disclosed |
| EP-0990634-A1 | ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES | Daicel Chemical Industries, Ltd. (JP) | 2000-04-05 | — | — | EP | disclosed |