Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29127365 | 0.98 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HTR3EHTR3BHTR3A | |
| SCHEMBL22430527 | 0.71 | CYP11B1 (0.48) | ALDH1A1PKMSMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL22430562 | 0.70 | CYP11B1 (0.44) | PKMSMN1; SMN2L3MBTL1MEN1TSHR | |
| SCHEMBL3439540 | 0.67 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDFFAR4CYP19A1 | |
| SCHEMBL2117991 | 0.67 | HTR3A (0.63) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL2633660 | 0.66 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| SCHEMBL12326164 | 0.66 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| Hydrochloric Acid SCHEMBL10903841 | 0.66 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HPGDSMN1; SMN2FFAR4 | |
| SCHEMBL2955343 | 0.64 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| SCHEMBL282134 | 0.62 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDFFAR4NQO2 |
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 4 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-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 |