Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.43 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1924020 | 0.90 | CDK8 (0.43) | KDRCDK8RIPK1 | |
| SCHEMBL1924795 | 0.89 | CDK8 (0.44) | KDRTRPV1RAF1CDK8 | |
| SCHEMBL1925429 | 0.87 | RIPK1 (0.46) | KDRCA1CA2CA9RAF1 | |
| SCHEMBL1925334 | 0.86 | EPHX2 (0.48) | KDRCA1CA2CA9 | |
| SCHEMBL1923967 | 0.84 | MEN1 (0.51) | KDRCDK8RIPK1 | |
| SCHEMBL1924459 | 0.84 | KDM4E (0.46) | KDRTRPV1 | |
| SCHEMBL1926566 | 0.84 | KDR (0.56) | KDRCA1CA2CA7CA9 | |
| SCHEMBL1924464 | 0.82 | ALDH1A1 (0.38) | KDRCA1CA2CA7CA9 | |
| SCHEMBL1925914 | 0.82 | CA12 (0.49) | KDRCA1CA2CA9RIPK1 | |
| SCHEMBL1925039 | 0.82 | RIPK1 (0.44) | KDRCA1CA2CA9RIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1856043-B1 | 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER | AVENTIS PHARMA SA (FR) | 2011-06-08 | — | — | EP | claimed |