Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 6/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23519606 | 1.00 | IDH1 (0.41) | IDH1PNMTGRIA2ENPP2HDAC8 | |
| SCHEMBL23501018 | 0.82 | ENPP2 (0.42) | IDH1ENPP2HDAC8HDAC6CCNK | |
| SCHEMBL29878779 | 0.79 | NAMPT (0.45) | IDH1GRIA2HDAC8HDAC6CCNK | |
| SCHEMBL23500959 | 0.79 | NAMPT (0.45) | IDH1GRIA2HDAC8HDAC6CCNK | |
| SCHEMBL24112177 | 0.79 | MAPK1 (0.39) | IDH1GRIA2ENPP2HDAC8HDAC6 | |
| SCHEMBL24112178 | 0.79 | MAPK1 (0.39) | IDH1GRIA2ENPP2HDAC8HDAC6 | |
| SCHEMBL22057917 | 0.78 | ENPP2 (0.48) | ENPP2 | |
| SCHEMBL29771574 | 0.78 | ENPP2 (0.48) | ENPP2 | |
| SCHEMBL22057213 | 0.77 | KDM4E (0.46) | ENPP2CSNK2A1 | |
| SCHEMBL30807501 | 0.77 | KDM4E (0.46) | ENPP2CSNK2A1 |
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 1 patent. 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 |