Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11541496 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL11542005 | 0.86 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL9201064 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL11547531 | 0.80 | HSP90AA1 (0.56) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL9203493 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL11543994 | 0.75 | LMNA (0.42) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL10597473 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL9457977 | 0.74 | KDM4E (0.46) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL11547515 | 0.74 | HSP90AA1 (0.63) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 | |
| SCHEMBL9087052 | 0.74 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2HSP90AA1NPSR1 |
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 |