Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1605255 | 0.98 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL31267442 | 0.70 | CYP2A6 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1CYP1A2 | |
| SCHEMBL21333447 | 0.70 | CYP2A6 (0.39) | ALDH1A1CYP2A6MEN1KMT2AKDM4E | |
| SCHEMBL4585151 | 0.70 | ALOX5 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL2008998 | 0.68 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL286416 | 0.68 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL4897405 | 0.68 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL1097671 | 0.68 | CYP2A6 (0.42) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL21179481 | 0.68 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL4079696 | 0.68 | CYP2A6 (0.42) | ALDH1A1HSD17B10CYP2A6TDP1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109021013-B | Heterocyclic aromatic substituted palladium phosphine sulfonate and nickel catalyst and ligand, preparation method and application thereof | 中国科学技术大学 | 2020-05-12 | — | — | CN | disclosed |
| CN-109021013-A | The phosphono and sulfonic palladium and Raney nickel and its ligand, preparation method and purposes that heterocyclic arene replaces | 中国科学技术大学 | 2018-12-18 | — | — | CN | disclosed |