Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14818604 | 0.88 | CYP2D6 (0.38) | CYP2D6KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL22049968 | 0.86 | CYP2D6 (0.44) | CYP2D6KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL25854989 | 0.84 | CYP2D6 (0.40) | CYP2D6KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL22317566 | 0.84 | CYP2D6 (0.36) | CYP2D6 | |
| SCHEMBL25854982 | 0.81 | ALDH1A1 (0.42) | CYP2D6KDM4EMEN1ALDH1A1POLB | |
| SCHEMBL25909806 | 0.81 | CYP2D6 (0.34) | CYP2D6 | |
| SCHEMBL25566288 | 0.80 | CYP2D6 (0.40) | CYP2D6KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL19570537 | 0.78 | SLC6A2 (0.34) | CYP2D6 | |
| SCHEMBL23508955 | 0.78 | PTPN11 (0.35) | PTPN11KMT2A | |
| SCHEMBL24327757 | 0.77 | CYP2D6 (0.31) | CYP2D6ALDH1A1 |
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-2023116865-A1 | PYRAZOLE-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 优领医药科技（上海）有限公司 | 2023-06-29 | — | — | WO | disclosed |