Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.60 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28304423 | 1.00 | KEAP1 (0.60) | KEAP1NFE2L2POLBAKR1C4AKR1C3 | |
| SCHEMBL3450933 | 0.82 | KEAP1 (0.50) | KEAP1NFE2L2POLBAKR1C4AKR1C3 | |
| SCHEMBL4675611 | 0.82 | ALDH1A1 (0.45) | KEAP1NFE2L2HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL24659358 | 0.82 | KEAP1 (0.42) | KEAP1NFE2L2AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL29406550 | 0.78 | KEAP1 (0.64) | KEAP1NFE2L2POLBAKR1C4AKR1C3 | |
| SCHEMBL2566963 | 0.78 | KEAP1 (0.64) | KEAP1NFE2L2POLBAKR1C4AKR1C3 | |
| SCHEMBL1300271 | 0.78 | HSD17B10 (0.47) | KEAP1NFE2L2POLBHSD17B10SMN1; SMN2 | |
| SCHEMBL25501788 | 0.78 | KEAP1 (0.39) | KEAP1NFE2L2AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL17646830 | 0.78 | KEAP1 (0.46) | KEAP1NFE2L2POLBAKR1C4AKR1C3 | |
| SCHEMBL28303212 | 0.77 | KDM4E (0.43) | SMN1; SMN2ALDH1A1KDM4E |
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-117561255-A | 3, 4-dihydro-2, 7-naphthyridine-1, 6 (2H, 7H) -dione compounds as MEK inhibitors | 辉瑞公司 | 2024-02-13 | — | — | CN | disclosed |