Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA7 | P43166 | 5/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10156677 | 0.92 | CCNB2 (0.45) | CA1CA2CA7CA13CDK1 | |
| SCHEMBL10127055 | 0.89 | CA1 (0.52) | CA1CA2CA7CA13CDK1 | |
| SCHEMBL282561 | 0.89 | ALK (0.46) | CA1CA2CA7CA13PPARG | |
| SCHEMBL10127071 | 0.87 | CA1 (0.43) | CA1CA2CA7CA13PPARG | |
| SCHEMBL10156697 | 0.87 | TNNI3K (0.48) | CA1CA2CA7EGFRTNNI3K | |
| SCHEMBL10127073 | 0.86 | CA1 (0.42) | CA1CA2CA7CA13PPARG | |
| SCHEMBL10156701 | 0.85 | CA1 (0.41) | CA1CA2CA7CA13PPARG | |
| SCHEMBL10127040 | 0.82 | TP53 (0.46) | PPARGCDK1CDK2CCNB2CCNE2 | |
| SCHEMBL17069444 | 0.82 | LMNA (0.47) | PPARGEGFRFERKDRSYK | |
| SCHEMBL10127045 | 0.80 | MAPT (0.45) | CA1CA2CA7PPARGKDR |
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-2428508-B1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | ASTELLAS PHARMA INC (JP) | 2015-12-16 | — | — | EP | disclosed |