Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 9/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 9/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1016428 | 0.89 | PDK4 (0.47) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL797983 | 0.85 | USP2 (0.55) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL21816615 | 0.77 | PDK4 (0.56) | PDK4NAMPTGRM5GRM1HTR6 | |
| SCHEMBL8218881 | 0.76 | PDK4 (0.51) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL12320441 | 0.76 | PDK4 (0.51) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL10201181 | 0.76 | PDK4 (0.51) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL27012615 | 0.76 | PDK4 (0.44) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL20458824 | 0.75 | NAMPT (0.50) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL16936975 | 0.75 | PDK4 (0.50) | PDK4NAMPTGRM5ESR2GRM1 | |
| SCHEMBL12069963 | 0.75 | PDK4 (0.50) | PDK4NAMPTGRM5ESR2GRM1 |
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-2016015597-A1 | COMPOUNDS AS CDK SMALL-MOLECULE INHIBITORS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-02-04 | — | — | WO | disclosed |