Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.55 |
| ▸ | CA12 | O43570 | 6/20 | 0.55 |
| ▸ | CA1 | P00915 | 6/20 | 0.55 |
| ▸ | CA9 | Q16790 | 6/20 | 0.55 |
| ▸ | NNMT | P40261 | 4/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31720460 | 0.85 | CA12 (0.55) | CA2CA12CA1CA9CA14 | |
| SCHEMBL4648030 | 0.85 | CA12 (0.55) | CA2CA12CA1CA9CA14 | |
| SCHEMBL6956728 | 0.83 | NNMT (0.53) | CA2CA12CA1CA9NNMT | |
| SCHEMBL1867891 | 0.83 | NNMT (0.53) | CA2NNMTSMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL3129801 | 0.80 | NNMT (0.50) | CA2NNMTSMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL1713848 | 0.79 | MAPK1 (0.57) | CA2CA12CA1CA9CA14 | |
| SCHEMBL14730851 | 0.79 | NNMT (0.56) | NNMTSMN1; SMN2KDM4EL3MBTL1GRM5 | |
| SCHEMBL3123368 | 0.79 | NNMT (0.49) | CA2NNMTSMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL5032688 | 0.78 | CA2 (0.52) | CA2CA12CA1CA9CA14 | |
| SCHEMBL3126246 | 0.78 | NNMT (0.47) | CA2NNMTSMN1; SMN2KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9580438-B2 | Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders | 4SC DISCOVERY GMBH (DE) | 2017-02-28 | — | — | US | claimed |