Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.48 |
| ▸ | AHR | P35869 | 2/20 | 0.48 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.48 |
| ▸ | VDR | P11473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24217120 | 1.00 | CYP19A1 (0.57) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL20320401 | 0.84 | DYRK1A (0.60) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL14488273 | 0.83 | CYP19A1 (0.56) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL9867784 | 0.83 | CYP19A1 (0.56) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL12825948 | 0.81 | ADORA3 (0.53) | PTGS2SMN1; SMN2RAB9ANFKB1NFKB2 | |
| SCHEMBL9867758 | 0.79 | CYP19A1 (0.52) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL30287350 | 0.78 | CYP19A1 (0.73) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL28406603 | 0.78 | CYP19A1 (0.73) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL9867042 | 0.78 | CYP19A1 (0.54) | CYP19A1CLK4DYRK1ANR1H2NR1H3 | |
| SCHEMBL24217518 | 0.77 | CYP19A1 (0.50) | CYP19A1CLK4DYRK1ANR1H2NR1H3 |
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-4182305-A1 | NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE | Iowa State University Research Foundation, Inc. (US) | 2023-05-24 | — | — | EP | disclosed |