Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19043747 | 0.86 | SLC6A4 (0.46) | SLC6A4EPHX1ALDH1A1TSHRSLC6A3 | |
| SCHEMBL23718447 | 0.79 | TSHR (0.43) | SLC6A4EPHX1ALDH1A1TSHRSLC6A3 | |
| SCHEMBL28676699 | 0.77 | POLB (0.49) | ALDH1A1ACACBKMT2AHTTSMN1; SMN2 | |
| SCHEMBL23269923 | 0.77 | TMEM97 (0.53) | ALDH1A1DAOMEN1KMT2A | |
| SCHEMBL29483421 | 0.76 | BCHE (0.46) | SLC6A4EPHX1SLC6A3DAOACACB | |
| SCHEMBL700041 | 0.76 | DAO (0.51) | SLC6A4EPHX1ALDH1A1TSHRSLC6A3 | |
| SCHEMBL9062148 | 0.76 | TSHR (0.53) | SLC6A4ALDH1A1TSHRSLC6A3DAO | |
| SCHEMBL1687455 | 0.76 | TSHR (0.53) | SLC6A4ALDH1A1TSHRSLC6A3DAO | |
| SCHEMBL28642895 | 0.75 | NQO1 (0.52) | TSHRACACBMEN1KMT2ABCHE | |
| SCHEMBL28662592 | 0.75 | ACACB (0.44) | ALDH1A1ACACBMEN1KMT2ABCHE |
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-113511991-B | Synthesis method of halogenated alkane thioetherification and thiocarbonylation | 安徽农业大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-113511991-A | Synthesis method for thioatherification and thiocarbonylation of halogenated alkane | 安徽农业大学 | 2021-10-19 | — | — | CN | disclosed |