Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL11547531 | 0.88 | HSP90AA1 (0.56) | HSP90AA1NPSR1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28602340 | 0.88 | HSP90AA1 (0.56) | HSP90AA1NPSR1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28612952 | 0.88 | HSP90AA1 (0.56) | HSP90AA1NPSR1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL11541496 | 0.88 | ALDH1A1 (0.50) | HSP90AA1NPSR1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28614551 | 0.85 | CYP3A4 (0.58) | HSP90AA1NPSR1ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL11542005 | 0.85 | ALDH1A1 (0.48) | HSP90AA1NPSR1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28919655 | 0.85 | HSP90AA1 (0.55) | HSP90AA1NPSR1CYP3A4THRBTSHR | |
| SCHEMBL28613068 | 0.85 | HSP90AA1 (0.55) | HSP90AA1NPSR1CYP3A4THRBTSHR | |
| SCHEMBL28920269 | 0.85 | HSP90AA1 (0.54) | HSP90AA1NPSR1SMN1; SMN2CYP3A4THRB | |
| SCHEMBL28608939 | 0.84 | ALDH1A1 (0.47) | HSP90AA1NPSR1ALDH1A1MAPTSMN1; SMN2 |
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 |