Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL30104840 | 0.87 | NR2E3 (0.37) | CTSBALDH1A1MAPK1S100A4NR2E3 | |
| SCHEMBL30104893 | 0.83 | CCKBR (0.41) | CTSBALDH1A1L3MBTL1S100A4SMN1; SMN2 | |
| SCHEMBL30104902 | 0.82 | S100A4 (0.37) | CTSBALDH1A1L3MBTL1MAPK1S100A4 | |
| SCHEMBL30104903 | 0.80 | KDM4E (0.33) | ALDH1A1NT5EMAPTKDM4E | |
| SCHEMBL30104872 | 0.79 | POLB (0.38) | ALDH1A1S100A4HPGDSMN1; SMN2KMT2A | |
| SCHEMBL30104905 | 0.73 | NPSR1 (0.37) | CTSBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29822002 | 0.72 | KDM4E (0.35) | ALDH1A1TSHRTDP1L3MBTL1NT5E | |
| SCHEMBL30104867 | 0.72 | MAPK1 (0.47) | CTSBALDH1A1MAPK1CYP2C9CYP2C19 | |
| SCHEMBL30104826 | 0.68 | G6PD (0.32) | ALDH1A1TSHRS100A4KDM4E | |
| SCHEMBL30104878 | 0.65 | NUAK1 (0.33) | KDM4E |
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-115583927-B | Thioether compound, and preparation method and application thereof | 华南师范大学 | 2024-07-12 | — | — | CN | disclosed |
| CN-115583927-A | Thioether compound and preparation method and application thereof | 华南师范大学 | 2023-01-10 | — | — | CN | disclosed |