Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 5/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 4/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | ECE1 | P42892 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | GRB2 | P62993 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.34 |
| ▸ | PRF1 | P14222 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 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 | |
|---|---|---|---|---|
| SCHEMBL16485778 | 0.92 | ECE1 (0.35) | ITGA4ITGB7KCNH2HRH3CTSC | |
| SCHEMBL16478239 | 0.90 | ITGB1 (0.40) | ITGA4ITGB7ITGB1KCNH2HRH3 | |
| SCHEMBL16485761 | 0.88 | CTSC (0.48) | KCNH2CTSCCTSK | |
| SCHEMBL2892969 | 0.82 | CTSC (0.48) | ITGA4ITGB7CTSCCTSKCTSS | |
| SCHEMBL2892971 | 0.82 | CTSC (0.48) | ITGA4ITGB7CTSCCTSKCTSS | |
| SCHEMBL16485804 | 0.82 | ITGA4 (0.39) | ITGA4ITGB7ITGB1CTSKECE1 | |
| SCHEMBL16485771 | 0.81 | CTSC (0.38) | ITGA4ITGB7ITGB1CTSCCTSK | |
| SCHEMBL16478300 | 0.80 | ITGA4 (0.41) | ITGA4ITGB7ITGB1CTSKECE1 | |
| SCHEMBL16478301 | 0.80 | ITGA4 (0.41) | ITGA4ITGB7ITGB1CTSKECE1 | |
| SCHEMBL16478314 | 0.80 | TACR2 (0.39) | ITGA4ITGB1KCNH2HRH3CTSC |
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-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |