Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.58 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.58 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | FLT3 | P36888 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | KDM6B | O15054 | 1/20 | 0.49 |
| ▸ | KDM5C | P41229 | 1/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.49 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28408538 | 1.00 | KDR (0.61) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL31473225 | 0.86 | KEAP1 (0.62) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL28408386 | 0.85 | FLT3 (0.69) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL29657637 | 0.85 | FLT3 (0.69) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL28418357 | 0.84 | STS (0.62) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL29657629 | 0.84 | STS (0.62) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL28418132 | 0.83 | PTGS2 (0.64) | KDRCA2CA1CA12CA9 | |
| SCHEMBL4549459 | 0.83 | P2RX7 (0.58) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL23557659 | 0.82 | HSD17B1 (0.76) | KDRKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL31473210 | 0.82 | KDR (0.60) | KDRKEAP1NFE2L2HSD17B1HSD17B2 |
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-111153889-B | 2-indolone-triazole anti-tumor compound and preparation method and application thereof | 中国医科大学 | 2022-05-20 | — | — | CN | disclosed |