Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.67 |
| ▸ | CASP3 | P42574 | 3/20 | 0.67 |
| ▸ | CASP7 | P55210 | 3/20 | 0.67 |
| ▸ | CASP4 | P49662 | 2/20 | 0.67 |
| ▸ | CASP9 | P55211 | 2/20 | 0.67 |
| ▸ | CASP6 | P55212 | 2/20 | 0.67 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.45 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28799595 | 1.00 | CASP1 (0.67) | CASP1CASP3CASP7CASP4CASP9 | |
| SCHEMBL28799594 | 0.88 | CASP3 (0.67) | CASP1CASP3CASP7CASP4CASP9 | |
| SCHEMBL29699570 | 0.88 | CASP3 (0.67) | CASP1CASP3CASP7CASP4CASP9 | |
| SCHEMBL28469328 | 0.87 | CASP3 (0.65) | CASP1CASP3CASP7CASP4CASP9 | |
| SCHEMBL28799632 | 0.84 | ALDH1A1 (0.65) | ALDH1A1CA1CA2CA9ALDH2 | |
| SCHEMBL28467222 | 0.83 | CTRB1 (0.48) | CASP1CASP3CASP7CASP4CASP9 | |
| SCHEMBL28799598 | 0.83 | ALDH3A1 (0.65) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL28468478 | 0.82 | CES1 (0.59) | ALDH1A1HPGDHTTPRKAG1PRKAA2 | |
| SCHEMBL29699673 | 0.82 | CES1 (0.59) | ALDH1A1HPGDHTTPRKAG1PRKAA2 | |
| SCHEMBL8019337 | 0.81 | CASP3 (1.00) | CASP1CASP3CASP7CASP4CASP9 |
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-111747883-B | 1-benzyl isatin derivative and synthesis method and application thereof | 中南大学 | 2022-07-01 | — | — | CN | disclosed |