Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31021488 | 0.81 | KIF11 (0.41) | CA1CA2CA9CA4CA7 | |
| SCHEMBL520862 | 0.80 | KEAP1 (0.44) | CA1CA2CA9CA4CA7 | |
| SCHEMBL30101049 | 0.80 | HIF1A (0.34) | CA1CA2CA9CA4CA7 | |
| SCHEMBL2292922 | 0.78 | HIF1A (0.41) | NPC1PDGFRBKDRHIF1A | |
| SCHEMBL4153532 | 0.77 | KEAP1 (0.53) | CA1CA2CA9CA4CA7 | |
| SCHEMBL529367 | 0.77 | CA1 (0.46) | CA1CA2CA9CA4CA7 | |
| SCHEMBL17442162 | 0.75 | EP300 (0.51) | CA1CA2CA9CA4CA7 | |
| SCHEMBL4165836 | 0.73 | CA1 (0.46) | CA1CA2CA9CA4CA7 | |
| SCHEMBL16015104 | 0.72 | CA1 (0.44) | CA1CA2CA9CA4CA7 | |
| SCHEMBL21929104 | 0.72 | KEAP1 (0.41) | CA1CA2CA9CA4CA7 |
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-116969920-A | Fused pyridazine derivative, preparation method and medical application thereof | 上海辉启生物医药科技有限公司 | 2023-10-31 | — | — | CN | disclosed |