Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.40 |
| ▸ | ECE1 | P42892 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 4/20 | 0.37 |
| ▸ | TACR2 | P21452 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | GRB2 | P62993 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NPPA | P01160 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16485779 | 0.90 | ITGA4 (0.37) | ITGB1ITGA4ITGB7ECE1KCNH2 | |
| SCHEMBL16478314 | 0.89 | TACR2 (0.39) | ITGB1ITGA4ECE1KCNH2HRH3 | |
| SCHEMBL16478153 | 0.87 | CTSC (0.51) | KCNH2CTSCCTSK | |
| SCHEMBL16485778 | 0.82 | ECE1 (0.35) | ITGA4ITGB7ECE1KCNH2HRH3 | |
| SCHEMBL16478318 | 0.81 | ITGA4 (0.43) | ITGB1ITGA4ITGB7ECE1TACR2 | |
| SCHEMBL299705 | 0.80 | CTSC (0.51) | ECE1CTSCTACR2CTSK | |
| SCHEMBL16485761 | 0.78 | CTSC (0.48) | KCNH2CTSCCTSK | |
| SCHEMBL16478325 | 0.77 | ECE1 (0.42) | ITGB1ITGA4ITGB7ECE1CTSC | |
| SCHEMBL16478079 | 0.77 | CTSC (0.57) | KCNH2CTSCCTSK | |
| SCHEMBL16485786 | 0.77 | CTSC (0.57) | KCNH2CTSCCTSK |
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 |