Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL23237231 | 0.95 | CA12 (0.33) | CA12CA1CA2CA9 | |
| SCHEMBL25088504 | 0.94 | CYP1A1 (0.31) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL25089006 | 0.93 | HCRTR1 (0.33) | CYP1A1CYP1A2CYP1B1HCRTR1 | |
| SCHEMBL25088999 | 0.92 | CYP1A1 (0.32) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL25089001 | 0.92 | CYP1A1 (0.32) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL23237931 | 0.92 | CHRNA1 (0.33) | HCRTR1CA12CA1CA2CA9 | |
| SCHEMBL24919806 | 0.92 | CASP3 (0.32) | HCRTR1 | |
| SCHEMBL23238424 | 0.92 | CA12 (0.35) | CA12CA1CA2CA9 | |
| SCHEMBL24918528 | 0.92 | CHRNA1 (0.34) | CA12CA1CA2CA9 | |
| SCHEMBL23238628 | 0.91 | CA12 (0.34) | CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023027173-A1 | COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-03-02 | — | — | WO | disclosed |