Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 8/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | PRF1 | P14222 | 4/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.30 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.30 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.30 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.30 |
| ▸ | CCNK | O75909 | 1/20 | 0.30 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16478136 | 0.91 | ACACB (0.33) | CTSCCTSKACACBPDE3BPDE3A | |
| SCHEMBL16478214 | 0.84 | F9 (0.38) | CTSCCTSKACACBPDE3BPDE3A | |
| SCHEMBL16478355 | 0.79 | CTSC (0.38) | CTSCCTSKMAPK1 | |
| SCHEMBL16478104 | 0.79 | JAK2 (0.34) | CTSCACACBROCK2ROCK1 | |
| SCHEMBL16478066 | 0.79 | ACACB (0.34) | CTSKACACBCTSBCTSSROCK2 | |
| SCHEMBL16478194 | 0.78 | PDE4A (0.38) | CTSCACACBROCK2ROCK1 | |
| SCHEMBL290329 | 0.77 | CTSC (0.36) | CTSCCTSKPDE3BPDE3AMAPK1 | |
| SCHEMBL16478361 | 0.76 | CTSK (0.35) | CTSCCTSKACACB | |
| SCHEMBL16478224 | 0.76 | CTSC (0.36) | CTSCCTSKMAPK1 | |
| SCHEMBL16478221 | 0.75 | CTSC (0.38) | CTSCCTSKCTSSROCK2ROCK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | 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 |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |