Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | TFEB | P19484 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19076184 | 1.00 | NFE2L2 (0.59) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL4268604 | 0.86 | NFE2L2 (0.56) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL7915752 | 0.84 | NFE2L2 (0.79) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL1603719 | 0.84 | NFE2L2 (0.79) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL4019329 | 0.84 | NFE2L2 (0.79) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL19076160 | 0.84 | NPC1 (0.74) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL16915441 | 0.78 | KMT2A (0.52) | NFE2L2CYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL16915443 | 0.78 | KMT2A (0.52) | NFE2L2CYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL9665310 | 0.77 | NFE2L2 (0.63) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL9000303 | 0.77 | NFE2L2 (0.63) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | CN | claimed |
| CN-110698413-A | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2020-01-17 | — | — | CN | claimed |
| CN-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | CN | disclosed |
| CN-110698413-A | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2020-01-17 | — | — | CN | disclosed |