Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28596459 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP2A6ALDH1A1KDM4EGAA | |
| SCHEMBL28596457 | 0.87 | NUDT1 (0.40) | CYP1A2CYP2A6ALDH1A1KDM4EGAA | |
| SCHEMBL30657223 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1KDM4EGAA | |
| SCHEMBL537002 | 0.81 | ALDH1A1 (0.52) | CYP1A2ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL29354014 | 0.79 | ALDH1A1 (0.50) | CYP1A2ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL2871930 | 0.79 | ALDH1A1 (0.50) | CYP1A2ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL27506937 | 0.77 | ALDH1A1 (0.48) | CYP1A2ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL29538643 | 0.77 | ALDH1A1 (0.48) | CYP1A2ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL23607812 | 0.77 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL27558874 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-113135828-B | Aromatic amine, alpha-diimine ligand and nickel catalyst based on rigid terphenyl structure and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2022-11-22 | — | — | CN | disclosed |