Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 6/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | GRB2 | P62993 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | APC | P25054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478378 | 1.00 | ECE1 (0.41) | ECE1ROCK2ITGA4ITGB7CTSS | |
| SCHEMBL16485796 | 0.86 | CTSC (0.44) | ECE1ROCK2ITGA4ITGB7CTSS | |
| SCHEMBL16478300 | 0.86 | ITGA4 (0.41) | ECE1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL16478301 | 0.86 | ITGA4 (0.41) | ECE1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL16478332 | 0.83 | TACR2 (0.46) | ITGA4ITGB7TACR2 | |
| SCHEMBL16478333 | 0.83 | TACR2 (0.46) | ITGA4ITGB7TACR2 | |
| SCHEMBL16485763 | 0.83 | ECE1 (0.41) | ECE1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL16485824 | 0.82 | ITGA4 (0.43) | ECE1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL16485777 | 0.82 | ITGA4 (0.43) | ECE1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL16485790 | 0.81 | ECE1 (0.38) | ECE1ITGA4ITGB7CTSSCTSK |
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 |