Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.66 |
| ▸ | AXL | P30530 | 1/20 | 0.60 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | BMP4 | P12644 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5791049 | 0.79 | SMPD3 (1.00) | SMPD3AXLCDK2BMP4JAK1 | |
| Hydrochloric Acid SCHEMBL7798075 | 0.78 | SMPD3 (0.96) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL84781 | 0.75 | SMPD3 (0.60) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL15336871 | 0.75 | SMPD3 (0.60) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL1693808 | 0.75 | AXL (1.00) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL31757050 | 0.75 | SMPD3 (0.55) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL7792276 | 0.72 | SMPD3 (0.51) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL24198248 | 0.71 | SMPD3 (0.59) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL3157134 | 0.71 | CDK2 (0.69) | SMPD3AXLCDK2BMP4JAK1 | |
| SCHEMBL4546565 | 0.71 | SMPD3 (0.55) | SMPD3AXLCDK2BMP4JAK1 |
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-115698009-A | CD73 inhibiting 2,4-dioxopyrimidine compounds | 吉利德科学公司 | 2023-02-03 | — | — | CN | disclosed |