Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.33 |
| ▸ | MAP3K11 | Q16584 | 4/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | SGK1 | O00141 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL25498570 | 0.84 | GSK3A (0.31) | CHRNB2CHRNA4HTR3AMAP3K11 | |
| SCHEMBL25498770 | 0.82 | HRH3 (0.35) | CYP3A4 | |
| SCHEMBL25498791 | 0.82 | CHEK1 (0.32) | — | |
| SCHEMBL25499997 | 0.82 | CHRNA7 (0.35) | CHRNA7AURKAAURKB | |
| SCHEMBL25499913 | 0.82 | ACHE (0.34) | NPC1CYP3A4 | |
| SCHEMBL25498247 | 0.81 | MLNR (0.35) | CYP3A4 | |
| SCHEMBL25498263 | 0.80 | ACHE (0.33) | — | |
| SCHEMBL25498219 | 0.80 | S1PR1 (0.36) | — | |
| SCHEMBL25498273 | 0.80 | ACHE (0.33) | — | |
| SCHEMBL25498232 | 0.79 | ACHE (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4177255-A1 | OXADIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2023-05-10 | — | — | EP | disclosed |