Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.36 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1971156 | 0.70 | ADORA2A (0.44) | ALDH1A1SMN1; SMN2HPGDCASP1MAPT | |
| SCHEMBL27266100 | 0.69 | TDP1 (0.38) | ALDH1A1SMN1; SMN2HPGDMAPTKDM4E | |
| SCHEMBL28154104 | 0.68 | CYP1B1 (0.47) | ALDH1A1SMN1; SMN2HPGDCASP1MPI | |
| SCHEMBL28138059 | 0.68 | L3MBTL1 (0.48) | ALDH1A1SMN1; SMN2HPGDCASP1MPI | |
| SCHEMBL4803393 | 0.68 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HPGDCASP1MPI | |
| SCHEMBL9728201 | 0.68 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2HPGDCASP1MPI | |
| SCHEMBL27746196 | 0.68 | MEN1 (0.55) | ALDH1A1SMN1; SMN2HPGDMAPTKDM4E | |
| SCHEMBL29649695 | 0.67 | CES1 (0.71) | ALDH1A1HSD17B10PARK7ALDH2ALDH3A1 | |
| SCHEMBL5114051 | 0.67 | CES1 (0.71) | ALDH1A1HSD17B10PARK7ALDH2ALDH3A1 | |
| SCHEMBL11194759 | 0.67 | TRPA1 (0.38) | MAPTMEN1KMT2AGAANPSR1 |
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-110452225-B | Triazole ethyl isatin derivative and preparation method and application thereof | 西南大学 | 2022-09-09 | — | — | CN | claimed |
| CN-110452225-B | Triazole ethyl isatin derivative and preparation method and application thereof | 西南大学 | 2022-09-09 | — | — | CN | disclosed |