Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 6/20 | 0.31 |
| ▸ | NOS3 | P29474 | 5/20 | 0.31 |
| ▸ | NOS2 | P35228 | 5/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6898227 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL575276 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL598869 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL11252107 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL4616915 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL283721 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL23952890 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL6250904 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL6894837 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 | |
| SCHEMBL6897202 | 1.00 | CA1 (0.46) | CA1CA2CA4ALDH1A1CYP1A2 |
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 |