Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 4/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL576746 | 0.85 | HSD17B10 (0.52) | HSD17B10HPGDSMN1; SMN2MAPTMGLL | |
| SCHEMBL19869137 | 0.80 | MAPT (0.42) | HSD17B10HPGDSMN1; SMN2MAPTMGLL | |
| SCHEMBL776238 | 0.80 | SMN1; SMN2 (0.42) | HSD17B10HPGDSMN1; SMN2MAPTMGLL | |
| SCHEMBL31543775 | 0.79 | SLC6A4 (0.48) | HSD17B10HPGDSMN1; SMN2MAPTMGLL | |
| SCHEMBL19869134 | 0.78 | MEN1 (0.49) | HSD17B10HPGDSMN1; SMN2MAPTMGLL | |
| SCHEMBL160896 | 0.78 | — | — | |
| Dibenzyl Disulfide SCHEMBL11856889 | 0.76 | HSD17B10 (0.60) | HSD17B10HPGDSMN1; SMN2MAPTMGLL | |
| SCHEMBL24179910 | 0.76 | ALDH1A1 (0.45) | HSD17B10HPGDSMN1; SMN2MAPTMGLL | |
| SCHEMBL19869138 | 0.76 | LTA4H (0.53) | SMN1; SMN2ALDH1A1MEN1KMT2AIDO1 | |
| Hydrochloric Acid SCHEMBL1741793 | 0.75 | IDO1 (0.48) | HSD17B10ALDH1A1IDO1NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018028050-A1 | ASYMMETRIC ARYL-ALKYL PERSULFATE COMPOUND, SYNTHESIS METHOD FOR SAME, AND APPLICATIONS THEREOF | 华东师范大学 | 2018-02-15 | — | — | WO | disclosed |