Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.78 |
| ▸ | CA1 | P00915 | 7/20 | 0.68 |
| ▸ | CA2 | P00918 | 7/20 | 0.68 |
| ▸ | CA7 | P43166 | 7/20 | 0.68 |
| ▸ | CA9 | Q16790 | 7/20 | 0.68 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | RAF1 | P04049 | 1/20 | 0.60 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.58 |
| ▸ | CDK8 | P49336 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6815777 | 0.89 | KDR (0.61) | KDRCA1CA2CA7CA9 | |
| SCHEMBL29364392 | 0.88 | KDR (1.00) | KDRCA1CA2CA7CA9 | |
| SCHEMBL118026 | 0.88 | KDR (1.00) | KDRCA1CA2CA7CA9 | |
| SCHEMBL716399 | 0.87 | KDR (0.80) | KDRCA1CA2CA7CA9 | |
| SCHEMBL618575 | 0.86 | KDR (0.82) | KDRCA1CA2CA7CA9 | |
| Cloflucarban SCHEMBL119821 | 0.85 | KDR (0.88) | KDRCA1CA2CA7CA9 | |
| Cloflucarban SCHEMBL27537485 | 0.85 | KDR (0.88) | KDRCA1CA2CA7CA9 | |
| SCHEMBL11005015 | 0.84 | KDR (0.85) | KDRCA1CA2CA7CA9 | |
| SCHEMBL16884950 | 0.84 | KDR (0.85) | KDRCA1CA2CA7CA9 | |
| SCHEMBL18615348 | 0.84 | KDR (0.85) | KDRCA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102532103-A | Quinazolinyl aryl urea derivatives and preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2012-07-04 | — | — | CN | disclosed |
| US-6555561-B2 | N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus | WYETH | 2003-04-29 | — | — | US | disclosed |
| US-6197803-B1 | VIRICIDES; PREVENTION REPRODUCTION | AMERICAN HOME PRODUCTS CORPORATION | 2001-03-06 | — | — | US | disclosed |