Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 16/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 15/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 10/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL3623080 | 0.76 | DPP4 (0.36) | CDK2CCNE1CDK5CDK9CDK1 | |
| Hydrochloric Acid SCHEMBL3457256 | 0.76 | DPP4 (0.36) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL2179773 | 0.72 | CDK2 (0.46) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL13315147 | 0.71 | CYP2D6 (0.47) | CDK2CCNE1CDK5LMNAEPHX1 | |
| SCHEMBL13536689 | 0.71 | HCAR2 (0.43) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL5719719 | 0.70 | DPP4 (0.43) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL6895745 | 0.70 | LMNA (0.47) | ALDH1A1LMNAMAPK1HTTNPSR1 | |
| SCHEMBL6887798 | 0.70 | GAA (0.45) | ALDH1A1LMNAMAPK1HTTNPSR1 | |
| SCHEMBL893594 | 0.69 | HCAR2 (0.55) | LMNAEPHX1CYP2D6EPHX2HIF1A | |
| SCHEMBL12327091 | 0.68 | CCNE1 (0.46) | CDK2CCNE1CDK5CDK9CDK1 |
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 3 patents. 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 |
| EP-1697348-A1 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005061487-A1 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2005-07-07 | — | — | WO | disclosed |