Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 9/20 | 0.53 |
| ▸ | BCHE | P06276 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 3/20 | 0.43 |
| ▸ | CASP2 | P42575 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL454828 | 0.85 | POLB (0.51) | ALDH1A1GAAGSK3BCASP3CASP2 | |
| SCHEMBL11229952 | 0.78 | TLR9 (0.50) | ALDH1A1GAANPSR1GSK3BCASP3 | |
| SCHEMBL28871744 | 0.74 | GSK3B (0.44) | ALDH1A1GAANPSR1GSK3BCASP3 | |
| SCHEMBL5703446 | 0.70 | CES1 (0.61) | CES1BCHEALDH1A1CES2GAA | |
| SCHEMBL29506684 | 0.70 | CES1 (0.61) | CES1BCHEALDH1A1CES2GAA | |
| SCHEMBL16754925 | 0.70 | GSK3B (0.62) | ALDH1A1GAANPSR1GSK3BCASP3 | |
| SCHEMBL9734396 | 0.70 | CES1 (0.56) | CES1BCHEALDH1A1CES2GAA | |
| Phenyl Isatin SCHEMBL916808 | 0.70 | CES1 (1.00) | CES1BCHEALDH1A1CES2GAA | |
| SCHEMBL11409331 | 0.68 | CES1 (0.58) | CES1BCHEALDH1A1CES2GAA | |
| SCHEMBL11561782 | 0.68 | CES1 (0.53) | CES1BCHEALDH1A1CES2GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591214-B | Isatin derivative and preparation method thereof | 北京大学深圳医院 | 2023-06-02 | — | — | CN | disclosed |
| CN-114591214-B | Isatin derivative and preparation method thereof | 北京大学深圳医院 | 2023-06-02 | — | — | CN | disclosed |
| CN-114591214-A | Isatin derivative and preparation method thereof | 北京大学深圳医院 | 2022-06-07 | — | — | CN | disclosed |
| CN-114591214-A | Isatin derivative and preparation method thereof | 北京大学深圳医院 | 2022-06-07 | — | — | CN | disclosed |