Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 9/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2179773 | 0.83 | CDK2 (0.46) | CDK2CCNE1CDK5CCNT1CCNA2 | |
| SCHEMBL3550406 | 0.79 | HCAR2 (0.43) | EPHX1CYP2D6EPHX2HCAR2CDK2 | |
| SCHEMBL893594 | 0.78 | HCAR2 (0.55) | EPHX1CYP2D6EPHX2HCAR2CHRM4 | |
| SCHEMBL2179441 | 0.77 | HDAC3 (0.49) | SMN1; SMN2 | |
| SCHEMBL3558719 | 0.76 | UGT1A1 (0.47) | EPHX1CYP2D6EPHX2HCAR2CDK2 | |
| SCHEMBL2773101 | 0.75 | HPGDS (0.56) | EPHX1CYP2D6EPHX2HCAR2CHRM4 | |
| SCHEMBL2175629 | 0.73 | SLC6A9 (0.45) | EPHX1CYP2D6EPHX2HCAR2CDK2 | |
| SCHEMBL7911949 | 0.72 | HCAR2 (0.46) | EPHX1CYP2D6EPHX2HCAR2CDK2 | |
| SCHEMBL13315147 | 0.72 | CYP2D6 (0.47) | EPHX1CYP2D6EPHX2HCAR2CDK2 | |
| SCHEMBL4252334 | 0.71 | MME (0.48) | CYP2D6HCAR2 |
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-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |