Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | TSPO | P30536 | 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 | |
|---|---|---|---|---|
| SCHEMBL29184876 | 0.88 | ALDH1A1 (0.35) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL31304808 | 0.84 | ACHE (0.35) | MTNR1AMTNR1B | |
| SCHEMBL30295720 | 0.80 | KEAP1 (0.46) | KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL24852792 | 0.80 | KEAP1 (0.46) | KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL24035759 | 0.80 | GAA (0.41) | KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL4841484 | 0.79 | KMT2A (0.43) | MTNR1AMTNR1BTSHRITGA4ITGB7 | |
| SCHEMBL30832717 | 0.73 | KCNQ4 (0.33) | — | |
| SCHEMBL30832677 | 0.71 | KCNQ4 (0.31) | — | |
| SCHEMBL25032353 | 0.71 | KCNQ4 (0.31) | — | |
| SCHEMBL13248095 | 0.71 | HIF1A (0.38) | ALDH1A1ITGA4 |
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-116217562-A | Compounds targeting p53 mutants | 北京加科思新药研发有限公司 | 2023-06-06 | — | — | CN | disclosed |