Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7324942 | 0.87 | HDAC8 (0.40) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL23895832 | 0.84 | HDAC1 (0.51) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL5014070 | 0.84 | HDAC1 (0.43) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL11965997 | 0.83 | FOLH1 (0.32) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL20057217 | 0.82 | HDAC3 (0.37) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL13883056 | 0.80 | HDAC1 (0.41) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL644646 | 0.80 | TSHR (0.45) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL11428318 | 0.78 | HDAC3 (0.40) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL13892879 | 0.78 | TSHR (0.42) | HDAC1HDAC2HDAC6HDAC3HDAC8 | |
| SCHEMBL12533431 | 0.78 | — | — |
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 |