Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ME2 | P23368 | 1/20 | 0.57 |
| ▸ | ME1 | P48163 | 1/20 | 0.57 |
| ▸ | ME3 | Q16798 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL9274767 | 0.90 | ME2 (0.52) | ME2ME1ME3PTGS1MAPT | |
| SCHEMBL27830556 | 0.86 | PTGS2 (0.69) | PTGS1PTGS2ALDH1A1 | |
| SCHEMBL27849110 | 0.85 | PTGS2 (0.68) | PTGS1PTGS2CA12CA1CA2 | |
| SCHEMBL17432755 | 0.83 | ME2 (0.48) | ME2ME1ME3PTGS1MAPT | |
| SCHEMBL17432753 | 0.81 | ME2 (0.47) | ME2ME1ME3PTGS1MAPT | |
| SCHEMBL10424199 | 0.79 | ME2 (0.69) | ME2ME1ME3MAPTNPC1 | |
| SCHEMBL31349179 | 0.79 | PTGS1 (0.85) | PTGS1MAPTPTGS2CYP19A1MEN1 | |
| SCHEMBL13299278 | 0.79 | ME2 (0.53) | ME2ME1ME3PTGS1MAPT | |
| SCHEMBL17430572 | 0.79 | ACHE (0.54) | ME2ME1ME3MAPTNPC1 | |
| SCHEMBL17432754 | 0.79 | ME2 (0.45) | ME2ME1ME3PTGS1MAPT |
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-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 |