Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3196799 | 0.88 | MAPT (0.45) | MAPTPTGS2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL29131295 | 0.88 | MAPT (0.45) | MAPTPTGS2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL3201821 | 0.84 | MAPT (0.42) | MAPTL3MBTL1TSHR | |
| SCHEMBL28618738 | 0.84 | HTT (0.50) | MAPTKMT2AALDH1A1L3MBTL1LMNA | |
| SCHEMBL28615596 | 0.84 | HPGD (0.50) | MAPTCYP11B1CYP11B2KMT2AALDH1A1 | |
| SCHEMBL28614783 | 0.84 | CA12 (0.43) | MAPTCYP11B1CYP11B2KMT2AALDH1A1 | |
| SCHEMBL6575536 | 0.83 | PTGS2 (0.42) | MAPTPTGS2CYP11B1CYP11B2KMT2A | |
| SCHEMBL28510605 | 0.83 | GAA (0.39) | MAPTKMT2AALDH1A1LMNATSHR | |
| SCHEMBL28634281 | 0.80 | MAPT (0.52) | MAPTPTGS2KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL11431547 | 0.76 | HDAC1 (0.54) | — |
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-113307753-B | Preparation method of thioether derivative | 华侨大学 | 2023-03-07 | — | — | CN | disclosed |
| CN-113307753-A | Preparation method of thioether derivative | 华侨大学 | 2021-08-27 | — | — | CN | disclosed |