Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513835 | 0.81 | MAPT (0.39) | ALDH1A1FFAR1KDM4EMEN1NPC1 | |
| SCHEMBL1921328 | 0.80 | PTGDR2 (0.49) | ALDH1A1TSHRKIF11FFAR1KDM4E | |
| SCHEMBL30270435 | 0.80 | ALDH1A1 (0.63) | ALDH1A1TSHRKIF11FFAR1KDM4E | |
| SCHEMBL28525723 | 0.80 | KIF11 (0.52) | ALDH1A1TSHRKIF11FFAR1KDM4E | |
| SCHEMBL29001494 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TSHRKIF11FFAR1KDM4E | |
| SCHEMBL2830955 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRKIF11FFAR1NPC1 | |
| SCHEMBL16747679 | 0.79 | KIF11 (0.56) | ALDH1A1TSHRKIF11TRPV6APP | |
| SCHEMBL14998069 | 0.79 | KIF11 (0.56) | ALDH1A1TSHRKIF11TRPV6APP | |
| SCHEMBL28512660 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHRKIF11FFAR1KDM4E | |
| SCHEMBL21655125 | 0.77 | KIF11 (0.50) | ALDH1A1TSHRKIF11FFAR1KDM4E |
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-110656346-B | Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device | 南京工业大学 | 2021-02-02 | — | — | CN | claimed |