Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 5/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 6/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL19921180 | 0.90 | ALK (0.46) | PDE5AALKCA1CA2CA9 | |
| SCHEMBL19921147 | 0.86 | PDE5A (0.47) | PDE5ACA1CA2CA9PTK2 | |
| SCHEMBL19929897 | 0.84 | ALK (0.45) | ALKPTK2METCDK7CDK9 | |
| SCHEMBL19921089 | 0.84 | AXL (0.53) | ALKPTK2METAURKAAURKB | |
| SCHEMBL19921129 | 0.84 | PDE5A (0.46) | PDE5ACA1CA2CA9AURKA | |
| SCHEMBL19921159 | 0.81 | PTK2 (0.58) | ALKPTK2METAURKAAURKB | |
| SCHEMBL19921154 | 0.77 | PDE5A (0.49) | PDE5ACA1CA2CA9PTK2 | |
| SCHEMBL20546930 | 0.77 | CDK7 (0.39) | ALKHDAC1PTK2METCDK7 | |
| SCHEMBL20546911 | 0.74 | PDE5A (0.47) | PDE5ACA1CA2CA9PTK2 | |
| SCHEMBL19921112 | 0.73 | PTK2 (0.62) | ALKPTK2CDK9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3290420-B1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | UNIV XIAMEN (CN) | 2020-12-09 | — | — | EP | claimed |
| EP-3290420-A1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | Xiamen University (CN) | 2018-03-07 | — | — | EP | claimed |