Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28874174 | 0.98 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP1A2CYP2D6HIF1A | |
| SCHEMBL29844064 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP1A2CYP2D6HIF1A | |
| SCHEMBL6756743 | 0.73 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP1A2CYP2D6HIF1A | |
| SCHEMBL22114467 | 0.72 | FGFR1 (0.59) | ALDH1A1HPGDCYP1A2CYP2D6HIF1A | |
| SCHEMBL11058522 | 0.71 | FGFR1 (0.40) | ALDH1A1FGFR1CRHR1CYP19A1NQO2 | |
| SCHEMBL6754345 | 0.68 | MEN1 (0.41) | ALDH1A1HPGDCYP1A2CYP2D6HIF1A | |
| SCHEMBL20697961 | 0.67 | PDE2A (0.44) | ALDH1A1HPGDCYP1A2CYP2D6HIF1A | |
| SCHEMBL31226668 | 0.66 | CYP3A4 (0.46) | ALDH1A1HPGDHSD17B10HTTMAPK1 | |
| SCHEMBL15826889 | 0.65 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2CYP2D6HIF1A | |
| Hydrochloric Acid SCHEMBL30081990 | 0.64 | ALDH1A1 (0.30) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115286547-B | Method for synthesizing aryl benzyl thioether compound | 苏州大学 | 2023-11-03 | — | — | CN | disclosed |
| CN-115286547-A | Method for synthesizing aryl benzyl sulfide compound | 苏州大学 | 2022-11-04 | — | — | CN | disclosed |
| CN-115286547-A | Method for synthesizing aryl benzyl sulfide compound | 苏州大学 | 2022-11-04 | — | — | CN | disclosed |