Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28602340 | 1.00 | HSP90AA1 (0.56) | HSP90AA1NPSR1CYP3A4THRBMAPT | |
| SCHEMBL11547531 | 1.00 | HSP90AA1 (0.56) | HSP90AA1NPSR1CYP3A4THRBMAPT | |
| SCHEMBL28604608 | 0.88 | HSP90AA1 (0.53) | HSP90AA1NPSR1CYP3A4THRBMAPT | |
| SCHEMBL9458158 | 0.88 | HSP90AA1 (0.53) | HSP90AA1NPSR1CYP3A4THRBMAPT | |
| SCHEMBL28604622 | 0.87 | HSP90AA1 (0.59) | HSP90AA1NPSR1CYP3A4THRBGAA | |
| SCHEMBL28599786 | 0.87 | HSP90AA1 (0.59) | HSP90AA1NPSR1CYP3A4THRBGAA | |
| SCHEMBL11546179 | 0.87 | HSP90AA1 (0.72) | HSP90AA1NPSR1CYP3A4THRBGAA | |
| SCHEMBL11545641 | 0.87 | HSP90AA1 (0.59) | HSP90AA1NPSR1CYP3A4THRBGAA | |
| SCHEMBL28602217 | 0.86 | HSP90AA1 (0.58) | HSP90AA1NPSR1CYP3A4THRBGAA | |
| SCHEMBL28619030 | 0.86 | HSP90AA1 (0.58) | HSP90AA1NPSR1CYP3A4THRBGAA |
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-113234066-A | Propiconazole-like compound and preparation method and application thereof | 浙江工业大学 | 2021-08-10 | — | — | CN | disclosed |