Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28292785 | 0.82 | BTK (0.41) | BTKCYP2C9CYP2C19MAPK14GAA | |
| SCHEMBL20971823 | 0.81 | GPR119 (0.52) | — | |
| SCHEMBL20897951 | 0.80 | L3MBTL1 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21722888 | 0.80 | CYP2C9 (0.42) | BTKCYP2C9CYP2C19MAPK14 | |
| SCHEMBL20897972 | 0.79 | MGLL (0.45) | BTKCYP2C9CYP2C19MAPK14 | |
| SCHEMBL1816284 | 0.77 | PARP10 (0.36) | BTKCYP2C9GAAPARP1 | |
| SCHEMBL4768629 | 0.77 | GAA (0.67) | GAACA12CA1CA2CA7 | |
| SCHEMBL5320493 | 0.76 | GAA (0.49) | CYP2C9CYP2C19MAPK14GAAF2 | |
| SCHEMBL4252210 | 0.75 | HTR2A (0.47) | MAPK14GAAF2 | |
| SCHEMBL23365144 | 0.75 | CYP2C9 (0.55) | CYP2C9CYP2C19MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019072978-A1 | MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS | Basilea Pharmaceutica International AG (CH) | 2019-04-18 | — | — | WO | disclosed |