Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3728365 | 0.80 | LTA4H (0.33) | CXCR4LTA4HPARP1 | |
| Hydrochloric Acid SCHEMBL27658544 | 0.78 | LTA4H (0.32) | CXCR4LTA4HPARP1 | |
| Hydrochloric Acid SCHEMBL27545058 | 0.78 | LTA4H (0.32) | CXCR4LTA4HPARP1 | |
| Bromide SCHEMBL3726639 | 0.78 | LTA4H (0.32) | CXCR4LTA4HPARP1 | |
| SCHEMBL22756414 | 0.78 | PLG (0.37) | CXCR4LTA4HPARP1 | |
| SCHEMBL14715748 | 0.77 | — | — | |
| SCHEMBL17262088 | 0.76 | CXCR4 (0.38) | CXCR4LTA4HPARP1 | |
| SCHEMBL5080972 | 0.74 | CYP2D6 (0.34) | LTA4H | |
| SCHEMBL1952132 | 0.73 | — | — | |
| SCHEMBL2916327 | 0.73 | — | — |
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-2016015605-A1 | COMPOUNDS AS CDK SMALL-MOLECULE INHIBITORS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-02-04 | — | — | WO | disclosed |