Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL21303399 | 0.79 | HDAC4 (0.61) | HDAC4HDAC6HDAC3HDAC1CDC7 | |
| SCHEMBL7018973 | 0.78 | HDAC3 (0.73) | HDAC4HDAC6HDAC3HDAC1CA12 | |
| SCHEMBL2296183 | 0.76 | HDAC6 (1.00) | HDAC4HDAC6HDAC3HDAC1CDC7 | |
| SCHEMBL16423406 | 0.75 | HDAC4 (0.65) | HDAC4HDAC6HDAC3HDAC1CDC7 | |
| SCHEMBL3244368 | 0.75 | HDAC4 (0.68) | HDAC4HDAC6HDAC3HDAC1CDC7 | |
| SCHEMBL22954081 | 0.74 | HDAC4 (0.63) | HDAC4HDAC6HDAC3HDAC1CDC7 | |
| SCHEMBL2046044 | 0.74 | HDAC3 (0.63) | HDAC4HDAC6HDAC3HDAC1CA12 | |
| SCHEMBL28593820 | 0.74 | CDC7 (0.50) | HDAC4HDAC6HDAC3HDAC1CDC7 | |
| SCHEMBL2659566 | 0.73 | HDAC3 (0.62) | HDAC4HDAC6HDAC3HDAC1CDC7 | |
| SCHEMBL19892225 | 0.73 | HDAC4 (0.61) | HDAC4HDAC6HDAC3HDAC1CDC7 |
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-112939829-B | Synthetic method of aryl trifluoromethyl thioether | 武汉药明康德新药开发有限公司 | 2023-02-21 | — | — | CN | disclosed |
| CN-112939829-A | Synthetic method of aryl trifluoromethyl thioether | 武汉药明康德新药开发有限公司 | 2021-06-11 | — | — | CN | disclosed |