Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.49 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13833160 | 0.91 | CXCR4 (0.56) | CXCR4BACE1APPNOS3NOS1 | |
| SCHEMBL30323744 | 0.87 | CXCR4 (0.49) | CXCR4BACE1APPKDM4ENOS3 | |
| SCHEMBL520138 | 0.87 | CXCR4 (0.49) | CXCR4BACE1APPKDM4ENOS3 | |
| SCHEMBL465821 | 0.84 | CXCR4 (0.53) | CXCR4BACE1APPALDH1A1KDM4E | |
| SCHEMBL5342190 | 0.83 | CXCR4 (0.51) | CXCR4BACE1APPALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL2149315 | 0.83 | CXCR4 (0.51) | CXCR4BACE1APPALDH1A1KDM4E | |
| SCHEMBL14881459 | 0.83 | CXCR4 (0.45) | CXCR4BACE1APPNOS3NOS1 | |
| SCHEMBL23126252 | 0.81 | CXCR4 (0.50) | CXCR4KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL5343452 | 0.81 | ACHE (0.50) | CXCR4BACE1APPALDH1A1HRH3 | |
| SCHEMBL465722 | 0.80 | CXCR4 (0.65) | CXCR4BACE1APPKMT2ATDP1 |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |