Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26661966 | 0.79 | CYP19A1 (0.38) | CYP19A1TBXAS1CNR1CNR2MAOA | |
| SCHEMBL12485461 | 0.74 | CNR1 (0.48) | CNR1CNR2 | |
| SCHEMBL20674004 | 0.73 | GAA (0.36) | MAOAMAOBACHEDYRK1A | |
| SCHEMBL24824867 | 0.71 | PTGER4 (0.44) | CYP19A1LRRK2CNR1KCNH2 | |
| SCHEMBL27124825 | 0.70 | DYRK1A (0.44) | CYP19A1TBXAS1MAP3K5CNR1CNR2 | |
| SCHEMBL15704199 | 0.70 | CACNB4 (0.41) | CYP19A1 | |
| SCHEMBL13866624 | 0.70 | MAOA (0.53) | MAOAMAOBACHEDYRK1AKDM5A | |
| SCHEMBL4855717 | 0.69 | DYRK1A (0.43) | CYP19A1TBXAS1MAP3K5CNR1CNR2 | |
| SCHEMBL24823829 | 0.69 | CYP19A1 (0.43) | CYP19A1LRRK2KCNH2 | |
| SCHEMBL21917173 | 0.69 | DYRK1A (0.43) | CYP19A1TBXAS1CNR1CNR2KCNH2 |
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 |