Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 12/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 12/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | PRKDC | P78527 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25465642 | 0.96 | CYP1A1 (0.40) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL25465348 | 0.91 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL25465708 | 0.90 | CYP1A1 (0.41) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL25465537 | 0.90 | CYP1A1 (0.41) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL25509112 | 0.89 | CYP11B1 (0.38) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL25508737 | 0.89 | CYP11B1 (0.38) | CYP1A2CYP11B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25465220 | 0.88 | CYP1A1 (0.40) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL25465224 | 0.88 | CYP1A1 (0.41) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL25465269 | 0.88 | CYP1A1 (0.39) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 | |
| SCHEMBL23944722 | 0.88 | CYP11B1 (0.37) | CYP1A1CYP1B1CYP1A2CYP11B1CYP3A4 |
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-2023085834-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-05-19 | — | — | WO | disclosed |