Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.49 |
| ▸ | AHR | P35869 | 3/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 2/20 | 0.42 |
| ▸ | GABRD | O14764 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.42 |
| ▸ | GABRE | P78334 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16543093 | 0.85 | ABCG2 (0.49) | CYP1A2CYP1A1CYP1B1AHRABCG2 | |
| SCHEMBL23691039 | 0.85 | CYP1B1 (0.57) | CYP1A2CYP1A1CYP1B1ABCG2GABRP | |
| SCHEMBL23692915 | 0.84 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1AHRABCG2 | |
| SCHEMBL28178526 | 0.83 | MAOB (0.46) | CYP1A2CYP1A1AHRABCG2FYN | |
| SCHEMBL24086781 | 0.83 | MAOB (0.45) | CYP1A2CYP1A1AHRABCG2FYN | |
| SCHEMBL31336558 | 0.83 | ALOX5 (0.47) | CYP1A2CYP1A1CYP1B1AHRGABRP | |
| SCHEMBL23824049 | 0.83 | ALOX5 (0.47) | CYP1A2CYP1A1CYP1B1AHRGABRP | |
| SCHEMBL21190630 | 0.82 | AHR (0.43) | CYP1A2CYP1A1AHRABCG2FYN | |
| SCHEMBL17943894 | 0.82 | ABCG2 (0.45) | CYP1A2CYP1A1CYP1B1AHRABCG2 | |
| SCHEMBL21190619 | 0.81 | AHR (0.42) | CYP1A2CYP1A1AHRABCG2FYN |
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-2021150094-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2021-07-29 | — | — | WO | disclosed |