Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 9/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL19120701 | 0.86 | SLC22A12 (0.38) | CETPKIF11CCR6PDE2AKCNH2 | |
| SCHEMBL23252277 | 0.85 | CCR6 (0.38) | CETPKIF11CCR6PDE2AKCNH2 | |
| SCHEMBL12883121 | 0.80 | PDE2A (0.48) | CETPPDE2APLA2G1BTDP1ATG4B | |
| SCHEMBL19275146 | 0.78 | KCNK3 (0.41) | PLA2G1BTDP1ATG4BCARM1 | |
| SCHEMBL102298 | 0.73 | KIF11 (0.49) | CETPKIF11CCR6KCNH2HDAC8 | |
| SCHEMBL14997534 | 0.72 | CNR1 (0.36) | PDE2A | |
| SCHEMBL21361482 | 0.71 | L3MBTL1 (0.45) | KIF11ESR1ESR2 | |
| SCHEMBL21974679 | 0.71 | PDE2A (0.38) | PDE2ACARM1 | |
| SCHEMBL24910303 | 0.71 | CETP (0.40) | CETPKCNH2TDP1 | |
| SCHEMBL4968089 | 0.71 | KIF11 (0.50) | CETPKIF11CCR6KCNH2GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-9782408-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-10-10 | — | — | US | disclosed |