Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL25640105 | 0.94 | CYP1A1 (0.34) | CYP1A1CYP1B1ABCG2 | |
| SCHEMBL25640273 | 0.92 | CYP1A1 (0.32) | CYP1A1CYP1B1 | |
| SCHEMBL25640204 | 0.91 | CYP1A1 (0.34) | CYP1A1CYP1B1ABCG2 | |
| SCHEMBL25640063 | 0.91 | ABCG2 (0.35) | CYP1A1CYP1B1ABCG2 | |
| SCHEMBL25640171 | 0.91 | — | — | |
| SCHEMBL25640381 | 0.90 | CYP1A1 (0.38) | CYP1A1CYP1B1ABCG2 | |
| SCHEMBL25639824 | 0.90 | CYP1A1 (0.33) | CYP1A1CYP1B1ABCG2 | |
| SCHEMBL25640704 | 0.90 | CYP1A1 (0.33) | CYP1A1CYP1B1ABCG2 | |
| SCHEMBL25640523 | 0.89 | CYP1A1 (0.35) | CYP1A1CYP1B1ABCG2 | |
| SCHEMBL25640822 | 0.88 | CYP1A1 (0.33) | CYP1A1CYP1B1ABCG2 |
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-2023113334-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |