Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.31 |
| ▸ | PAK4 | O96013 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30748895 | 0.81 | IRAK4 (0.52) | IRAK4SMN1; SMN2PIK3CDPIK3R2LMNA | |
| SCHEMBL1789394 | 0.74 | PI4KA (0.42) | IRAK4SMN1; SMN2POLBALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL30791008 | 0.72 | PI4KA (0.41) | IRAK4SMN1; SMN2POLBALDH1A1KDM4E | |
| SCHEMBL21187403 | 0.72 | IRAK4 (0.69) | IRAK4HTTLMNAALDH1A1MAPK1 | |
| SCHEMBL1369046 | 0.71 | PDE4A (0.43) | IRAK4SMN1; SMN2PIK3CDPIK3R2LMNA | |
| SCHEMBL6126372 | 0.71 | IRAK4 (0.41) | IRAK4RAB9APOLBLMNAALDH1A1 | |
| SCHEMBL20265607 | 0.71 | ASIC3 (0.51) | ALDH1A1KDM4EMAPTOPRM1DYRK1A | |
| SCHEMBL12559881 | 0.69 | IRAK4 (0.39) | IRAK4 | |
| SCHEMBL12143633 | 0.69 | IRAK4 (0.42) | IRAK4HIF1ALMNATSHRCLK4 | |
| SCHEMBL2971145 | 0.69 | IRAK4 (0.39) | IRAK4 |
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-116731030-A | Synthesis method and antitumor application of several furopyrimidine-ibuprofen hybrid derivatives | 湖北医药学院 | 2023-09-12 | — | — | CN | disclosed |