Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25038661 | 0.96 | MCL1 (0.36) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25038522 | 0.91 | ALDH1A1 (0.38) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25038527 | 0.91 | PIM1 (0.38) | ALDH1A1CYP1A2KMT2AMEN1HSD17B10 | |
| SCHEMBL25038001 | 0.90 | MCL1 (0.37) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25038003 | 0.89 | CYP11B1 (0.36) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25038664 | 0.89 | FASN (0.37) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25036067 | 0.88 | SSTR2 (0.37) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25036113 | 0.87 | CYP11B1 (0.37) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25036083 | 0.87 | ALDH1A1 (0.34) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 | |
| SCHEMBL25037962 | 0.86 | HSD17B10 (0.36) | ALDH1A1CYP1A2LMNAKMT2ACYP3A4 |
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 |