Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28763515 | 1.00 | TSHR (0.42) | TSHRALDH1A1TDP1 | |
| SCHEMBL13721473 | 1.00 | TSHR (0.42) | TSHRALDH1A1TDP1 | |
| SCHEMBL2786153 | 0.96 | TSHR (0.43) | TSHRALDH1A1TDP1 | |
| SCHEMBL1184928 | 0.93 | — | — | |
| SCHEMBL31327912 | 0.89 | TSHR (0.43) | TSHRALDH1A1TDP1 | |
| SCHEMBL472807 | 0.86 | ALDH1A1 (0.31) | TSHRALDH1A1TDP1 | |
| SCHEMBL9474135 | 0.82 | ALDH1A1 (0.32) | TSHRALDH1A1TDP1 | |
| SCHEMBL10987810 | 0.82 | TSHR (0.63) | TSHRALDH1A1TDP1 | |
| SCHEMBL8407803 | 0.82 | TSHR (0.63) | TSHRALDH1A1TDP1 | |
| SCHEMBL3431156 | 0.82 | TSHR (0.63) | TSHRALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114634432-B | High-efficiency synthesis method of alkyl aryl thioether compound | 润药仁智(北京)科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-114634432-A | High-efficiency synthesis method of alkyl aryl thioether compound | 北京大学 | 2022-06-17 | — | — | CN | disclosed |