Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL30800345 | 1.00 | KEAP1 (0.35) | KEAP1NFE2L2MAP4K1DHODHLMNA | |
| SCHEMBL23830113 | 0.90 | MAP4K1 (0.33) | MAP4K1KRAS | |
| SCHEMBL28599872 | 0.81 | DHODH (0.37) | KEAP1NFE2L2DHODH | |
| SCHEMBL29742278 | 0.79 | GAA (0.39) | KEAP1NFE2L2DHODHLMNASMN1; SMN2 | |
| SCHEMBL20560749 | 0.79 | GAA (0.39) | KEAP1NFE2L2DHODHLMNASMN1; SMN2 | |
| SCHEMBL29742271 | 0.79 | GAA (0.39) | KEAP1NFE2L2DHODHLMNASMN1; SMN2 | |
| SCHEMBL28599875 | 0.77 | DHODH (0.35) | KEAP1NFE2L2DHODH | |
| SCHEMBL24502503 | 0.73 | KEAP1 (0.36) | KEAP1NFE2L2DHODHKRAS | |
| SCHEMBL25415392 | 0.73 | KEAP1 (0.43) | KEAP1NFE2L2DHODHLMNASMN1; SMN2 | |
| SCHEMBL29572702 | 0.73 | KEAP1 (0.43) | KEAP1NFE2L2DHODHLMNASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113286794-B | KRAS mutein inhibitors | 北京加科思新药研发有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-113286794-A | KRAS mutein inhibitors | 北京加科思新药研发有限公司 | 2021-08-20 | — | — | CN | disclosed |