Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | PDE9A | O76083 | 2/20 | 0.33 |
| ▸ | PDE1A | P54750 | 2/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853275 | 0.76 | HDAC8 (0.38) | KCNH2HRH4HRH3AURKACDK1 | |
| SCHEMBL27402945 | 0.76 | HDAC8 (0.38) | KCNH2HRH4HRH3AURKACDK1 | |
| SCHEMBL20674182 | 0.76 | CNR2 (0.35) | PDE9AAURKACDK1AURKB | |
| SCHEMBL21871188 | 0.75 | GPR119 (0.49) | GPR119PDE4DKCNH2PDE9APDE1A | |
| SCHEMBL22778947 | 0.75 | CACNA1H (0.40) | PDE4DCHRNB2CHRNA4KCNH2HRH4 | |
| SCHEMBL21958547 | 0.74 | GRM1 (0.38) | GPR119PDE9APDE1APDE1BPDE1C | |
| SCHEMBL23937881 | 0.74 | PARP1 (0.37) | CHRNB2CHRNA4HRH2HRH1KCNH2 | |
| SCHEMBL7436172 | 0.71 | CDK4 (0.46) | CHRNB2CHRNA4PDE9AAURKACDK1 | |
| SCHEMBL15326004 | 0.70 | GPR119 (0.45) | GPR119KCNH2PDE1APDE1BPDE1C | |
| Hydrochloric Acid SCHEMBL15657429 | 0.69 | GPR119 (0.44) | GPR119KCNH2PDE1APDE1BPDE1C |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |