Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 6/20 | 0.40 |
| ▸ | HTR2C | P28335 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30633073 | 0.84 | NPC1 (0.36) | NFE2L2 | |
| SCHEMBL30632943 | 0.84 | NFE2L2 (0.33) | NFE2L2 | |
| SCHEMBL30632896 | 0.84 | HTR2A (0.40) | NFE2L2HTR2AHTR2CKCNH2 | |
| SCHEMBL28473621 | 0.82 | CYP1A1 (0.37) | NFE2L2KCNH2CYP1A1CYP1B1 | |
| SCHEMBL30624911 | 0.81 | CYP1A1 (0.55) | NFE2L2TRPA1CYP1A1CYP1B1 | |
| SCHEMBL30632963 | 0.80 | NFE2L2 (0.55) | NFE2L2HTR2A | |
| SCHEMBL30632879 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL30632941 | 0.79 | HTR2A (0.38) | PTGS2HTR2AHTR2CKCNH2 | |
| SCHEMBL30632906 | 0.77 | NUDT1 (0.36) | NFE2L2 | |
| SCHEMBL30632919 | 0.76 | GRM4 (0.47) | NFE2L2PTGS1HTR2AKCNH2 |
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-111886234-B | Heterocyclic mitochondrial activity inhibitors and uses thereof | 蒙特利尔大学 | 2023-12-15 | — | — | CN | disclosed |