Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30701837 | 0.75 | LMNA (0.35) | SIGMAR1ALDH1A1USP2LMNA | |
| SCHEMBL29972913 | 0.75 | — | — | |
| SCHEMBL29181594 | 0.72 | — | — | |
| SCHEMBL29973164 | 0.65 | — | — | |
| SCHEMBL18284669 | 0.63 | KEAP1 (0.35) | KEAP1SMN1; SMN2SIGMAR1POLBALDH1A1 | |
| SCHEMBL7239607 | 0.62 | KEAP1 (0.71) | KEAP1SMN1; SMN2SIGMAR1POLBMAPK1 | |
| SCHEMBL1998867 | 0.62 | KEAP1 (0.71) | KEAP1SMN1; SMN2SIGMAR1POLBMAPK1 | |
| SCHEMBL28854736 | 0.62 | KEAP1 (0.41) | KEAP1SMN1; SMN2SIGMAR1POLBMAPK1 | |
| SCHEMBL28959117 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL9400430 | 0.61 | KEAP1 (0.68) | KEAP1SMN1; SMN2SIGMAR1POLBMAPK1 |
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-110835336-B | Oxygen-containing heterocyclic substituted azole compound and application thereof | 中国药科大学 | 2022-10-04 | — | — | CN | disclosed |