Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | POLA1 | P09884 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 6/20 | 0.38 |
| ▸ | CES1 | P23141 | 6/20 | 0.38 |
| ▸ | KDM5A | P29375 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28615361 | 0.88 | TSHR (0.57) | TSHRCA12CA14CA7CA9 | |
| SCHEMBL11895137 | 0.82 | TSHR (0.58) | TSHRCA12CA14EPHX2MEN1 | |
| SCHEMBL8257596 | 0.82 | TSHR (0.50) | TSHRCA12CA14CA2CA7 | |
| SCHEMBL28505878 | 0.80 | CES1 (0.34) | CES2CES1EPHX2LMNA | |
| SCHEMBL9219488 | 0.80 | TSHR (0.48) | TSHRCA12CA14CA7CA9 | |
| SCHEMBL9323099 | 0.78 | AKR1B1 (0.50) | TSHRPOLBCES2CES1MEN1 | |
| SCHEMBL1199896 | 0.77 | POLB (0.40) | TSHRCA12CA14CA2CA7 | |
| SCHEMBL17072517 | 0.77 | TSHR (0.44) | TSHRCA12CA14MEN1KMT2A | |
| SCHEMBL17072507 | 0.76 | TSHR (0.38) | TSHRCA12CA14CA7CA9 | |
| SCHEMBL14173627 | 0.76 | POLB (0.42) | TSHRCA12CA14CA2CA7 |
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 |