Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 14/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25038849 | 0.92 | ABCG2 (0.41) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25037906 | 0.91 | XDH (0.40) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25038615 | 0.91 | CYP1A2 (0.41) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25038859 | 0.91 | CYP1A2 (0.41) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25775534 | 0.90 | ABCG2 (0.47) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25037909 | 0.89 | ABCG2 (0.44) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25038556 | 0.89 | ABCG2 (0.40) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25038865 | 0.89 | ABCG2 (0.39) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25038612 | 0.88 | CYP1A2 (0.39) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL25038864 | 0.87 | CYP1A2 (0.40) | ABCG2ABCB1CYP1A2MEN1ALDH1A1 |
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-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |