Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 17/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAT2A | P31153 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL20673890 | 0.79 | ADORA3 (0.39) | CYP2D6MAT2AADORA3 | |
| SCHEMBL23937736 | 0.78 | HTR4 (0.42) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL23937874 | 0.75 | ACVR1 (0.39) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL21180241 | 0.72 | HTR4 (0.43) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL19699834 | 0.72 | PTPN1 (0.53) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL23937735 | 0.71 | HTR4 (0.50) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL17437846 | 0.69 | HTR4 (0.56) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL17438086 | 0.69 | HTR4 (0.56) | HTR4CYP3A4CYP2D6KCNH2 | |
| SCHEMBL20927196 | 0.68 | HTR4 (0.44) | HTR4CYP3A4CYP2D6 | |
| SCHEMBL20674638 | 0.68 | KEAP1 (0.37) | CYP2D6MAT2AADORA3 |
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 |