Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.72 |
| ▸ | GSK3B | P49841 | 9/20 | 0.63 |
| ▸ | ME2 | P23368 | 1/20 | 0.57 |
| ▸ | ME1 | P48163 | 1/20 | 0.57 |
| ▸ | ME3 | Q16798 | 1/20 | 0.57 |
| ▸ | GSK3A | P49840 | 2/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3822337 | 0.92 | GSK3B (0.69) | PTGS2GSK3BME2ME1ME3 | |
| SCHEMBL18049442 | 0.91 | PTGS2 (0.62) | PTGS2GSK3BME2ME1ME3 | |
| SCHEMBL3677953 | 0.88 | GSK3B (0.60) | PTGS2GSK3BME2ME1ME3 | |
| SCHEMBL18049420 | 0.85 | PTGS2 (0.56) | PTGS2GSK3BME2ME1ME3 | |
| SCHEMBL7004111 | 0.83 | PTGS2 (0.54) | PTGS2GSK3BME2ME1ME3 | |
| SCHEMBL10424199 | 0.79 | ME2 (0.69) | PTGS2ME2ME1ME3BACE1 | |
| SCHEMBL7781089 | 0.79 | GSK3B (1.00) | GSK3BGSK3AMAPT | |
| SCHEMBL12424809 | 0.77 | ACHE (0.52) | PTGS2GSK3BME2ME1ME3 | |
| SCHEMBL12425030 | 0.77 | GSK3B (0.57) | PTGS2GSK3BGSK3ABACE1MAPT | |
| SCHEMBL20299548 | 0.77 | ME2 (0.67) | PTGS2ME2ME1ME3BACE1 |
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-113912483-B | Squaric acid derivative, maleic anhydride derivative, maleimide biological coupling material, preparation method and application thereof | 华南理工大学 | 2023-01-06 | — | — | CN | disclosed |
| CN-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |