Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29878495 | 1.00 | HDAC8 (0.41) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL28653403 | 0.89 | HDAC8 (0.43) | HDAC8HDAC6PRMT5MAPK1ENPP2 | |
| SCHEMBL22092797 | 0.89 | HDAC8 (0.43) | HDAC8HDAC6PRMT5MAPK1ENPP2 | |
| SCHEMBL22092818 | 0.86 | HDAC6 (0.44) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL23501090 | 0.84 | ENPP2 (0.48) | HDAC6HDAC3HDAC1HDAC2MAPK1 | |
| SCHEMBL29878121 | 0.84 | ENPP2 (0.48) | HDAC6HDAC3HDAC1HDAC2MAPK1 | |
| SCHEMBL23500939 | 0.83 | HDAC8 (0.40) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL29878147 | 0.83 | HDAC8 (0.40) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL23501005 | 0.83 | HDAC1 (0.44) | HDAC8HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL23500959 | 0.82 | NAMPT (0.45) | HDAC8HDAC6MALT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114901658-A | Nitrogen-containing heterocyclic ring autotaxin inhibitor, and composition and application thereof | 四川海思科制药有限公司 | 2022-08-12 | — | — | CN | disclosed |
| WO-2021115375-A1 | NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF | 四川海思科制药有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021115375-A1 | NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF | 四川海思科制药有限公司 | 2021-06-17 | — | — | WO | disclosed |