Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 9/20 | 0.76 |
| ▸ | CA7 | P43166 | 4/20 | 0.70 |
| ▸ | CA9 | Q16790 | 4/20 | 0.70 |
| ▸ | CA1 | P00915 | 3/20 | 0.70 |
| ▸ | CA2 | P00918 | 3/20 | 0.70 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.68 |
| ▸ | CDK8 | P49336 | 3/20 | 0.63 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.60 |
| ▸ | RAF1 | P04049 | 4/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | BRAF | P15056 | 2/20 | 0.57 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | PLK4 | O00444 | 1/20 | 0.57 |
| ▸ | CIT | O14578 | 1/20 | 0.57 |
| ▸ | AURKA | O14965 | 1/20 | 0.57 |
| ▸ | MUSK | O15146 | 1/20 | 0.57 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL13945707 | 0.90 | KDR (0.72) | KDRCA7CA9CA1CA2 | |
| SCHEMBL11187741 | 0.88 | CA1 (0.71) | KDRCA7CA9CA1CA2 | |
| SCHEMBL11012195 | 0.88 | KDR (0.70) | KDRCA7CA9CA1CA2 | |
| SCHEMBL11008761 | 0.87 | KDR (0.68) | KDRCA7CA9CA1CA2 | |
| SCHEMBL29364392 | 0.87 | KDR (1.00) | KDRCA7CA9CA1CA2 | |
| SCHEMBL118026 | 0.87 | KDR (1.00) | KDRCA7CA9CA1CA2 | |
| SCHEMBL12319881 | 0.86 | KDR (0.76) | KDRCA7CA9CA1CA2 | |
| SCHEMBL26077943 | 0.86 | KDR (0.67) | KDRCA7CA9CA1CA2 | |
| Cloflucarban SCHEMBL27537485 | 0.84 | KDR (0.88) | KDRCA7CA9CA1CA2 | |
| Cloflucarban SCHEMBL119821 | 0.84 | KDR (0.88) | KDRCA7CA9CA1CA2 |
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-114349707-B | N-substituted urea compound and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2024-01-09 | — | — | CN | disclosed |
| CN-114349707-A | N-substituted urea compound and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2022-04-15 | — | — | CN | disclosed |