Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.74 |
| ▸ | TRPV1 | Q8NER1 | 12/20 | 0.69 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA7 | P43166 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12320168 | 0.87 | KDR (0.70) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL29364392 | 0.86 | KDR (1.00) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL118026 | 0.86 | KDR (1.00) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL281864 | 0.85 | KDR (0.85) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL21751016 | 0.84 | KDR (0.78) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL22092657 | 0.83 | KDR (0.82) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL29494948 | 0.83 | KDR (0.82) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL16884950 | 0.82 | KDR (0.85) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL9084296 | 0.82 | KDR (0.85) | KDRTRPV1CA1CA2CA7 | |
| SCHEMBL4548158 | 0.82 | KDR (0.90) | KDRTRPV1CA1CA2CA7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111718294-A | Crystal form of medicine for treating intestinal cancer | 北京康立生医药技术开发有限公司 | 2020-09-29 | — | — | CN | claimed |
| CN-111718294-A | Crystal form of medicine for treating intestinal cancer | 北京康立生医药技术开发有限公司 | 2020-09-29 | — | — | CN | disclosed |
| CN-107382845-A | A kind of compound for treating intestinal cancer | 姜才华 | 2017-11-24 | — | — | CN | disclosed |
| CN-107375282-A | A kind of pharmaceutical preparation for treating intestinal cancer | 姜才华 | 2017-11-24 | — | — | CN | disclosed |
| CN-107362163-A | A kind of pharmaceutical preparation for treating intestinal cancer | 黄才华 | 2017-11-21 | — | — | CN | disclosed |