Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 3/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | GRB2 | P62993 | 3/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.36 |
| ▸ | REN | P00797 | 3/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | APC | P25054 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478315 | 1.00 | ECE1 (0.37) | ECE1CTSSCTSKGRB2LCK | |
| SCHEMBL16485763 | 0.93 | ECE1 (0.41) | ECE1CTSSCTSKGRB2LCK | |
| SCHEMBL16485777 | 0.89 | ITGA4 (0.43) | ECE1CTSSCTSKGRB2LCK | |
| SCHEMBL16485824 | 0.89 | ITGA4 (0.43) | ECE1CTSSCTSKGRB2LCK | |
| SCHEMBL16485790 | 0.88 | ECE1 (0.38) | ECE1CTSSCTSKGRB2LCK | |
| SCHEMBL16478293 | 0.87 | ECE1 (0.41) | ECE1GRB2LCKITGA4ITGB7 | |
| SCHEMBL16485791 | 0.86 | CTSC (0.44) | CTSSCTSK | |
| SCHEMBL16485804 | 0.85 | ITGA4 (0.39) | ECE1CTSSCTSKGRB2LCK | |
| SCHEMBL16485780 | 0.82 | ECE1 (0.41) | ECE1CTSSCTSKGRB2LCK | |
| SCHEMBL16485749 | 0.82 | ITGA4 (0.41) | ECE1CTSSCTSKGRB2LCK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |
| WO-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |