Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.71 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.71 |
| ▸ | CASP3 | P42574 | 2/20 | 0.58 |
| ▸ | EP300 | Q09472 | 1/20 | 0.57 |
| ▸ | CMA1 | P23946 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28080906 | 0.94 | NR1H2 (0.71) | NR1H2NR1H3CASP3EP300CMA1 | |
| SCHEMBL4450601 | 0.84 | NR1H2 (1.00) | NR1H2NR1H3CASP3EP300GSK3B | |
| SCHEMBL28169955 | 0.83 | NR1H2 (0.62) | NR1H2NR1H3CASP3EP300CMA1 | |
| SCHEMBL15437828 | 0.83 | NR1H2 (0.70) | NR1H2NR1H3CASP3CMA1GSK3A | |
| SCHEMBL14031339 | 0.81 | NR1H2 (0.54) | NR1H2NR1H3CASP3EP300CMA1 | |
| SCHEMBL6429547 | 0.80 | CMA1 (0.54) | NR1H2NR1H3CASP3CMA1KDM4E | |
| SCHEMBL28080953 | 0.80 | TUBB4A (0.51) | NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL28080973 | 0.79 | NR1H2 (0.54) | NR1H2NR1H3KDM4EMEN1KMT2A | |
| SCHEMBL45154 | 0.79 | CASP3 (0.88) | CASP3CMA1KDM4EMEN1APAF1 | |
| SCHEMBL30296449 | 0.79 | CASP3 (0.88) | CASP3CMA1KDM4EMEN1APAF1 |
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 |