Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL290330 | 0.91 | CTSC (0.38) | ACACBCTSKCTSCPDE3BPDE3A | |
| SCHEMBL16478361 | 0.86 | CTSK (0.35) | ACACBCTSKCTSCKCNH2PIK3CG | |
| SCHEMBL16478214 | 0.83 | F9 (0.38) | ACACBCTSKCTSCPDE3BPDE3A | |
| SCHEMBL16478162 | 0.81 | KCNH2 (0.32) | ACACBCTSKCTSCKCNH2PIK3CG | |
| SCHEMBL16478134 | 0.79 | PIK3CG (0.32) | CTSKCTSCMAPK1PIK3CG | |
| SCHEMBL16478104 | 0.78 | JAK2 (0.34) | ACACBCTSCROCK2ROCK1 | |
| SCHEMBL16478194 | 0.77 | PDE4A (0.38) | ACACBCTSCROCK2ROCK1 | |
| SCHEMBL16478066 | 0.76 | ACACB (0.34) | ACACBCTSKROCK2ROCK1 | |
| SCHEMBL16478221 | 0.74 | CTSC (0.38) | CTSKCTSCKCNH2ROCK2ROCK1 | |
| SCHEMBL16478103 | 0.74 | CTSC (0.41) | CTSKCTSC |
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 |