Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21599313 | 0.79 | CYP2D6 (0.37) | CYP2D6ALDH1A1 | |
| SCHEMBL25081757 | 0.78 | CYP2D6 (0.36) | CYP2D6KDM4EALDH1A1MAPT | |
| SCHEMBL25081710 | 0.75 | CYP2D6 (0.37) | CYP2D6 | |
| SCHEMBL25081798 | 0.73 | CYP2D6 (0.36) | CYP2D6 | |
| SCHEMBL13300930 | 0.73 | CYP2D6 (0.47) | CYP2D6KDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL25159113 | 0.73 | CYP2D6 (0.33) | CYP2D6KDM4EMAPT | |
| SCHEMBL22916049 | 0.73 | CYP2D6 (0.33) | CYP2D6 | |
| SCHEMBL20849879 | 0.72 | KMT2A (0.32) | KMT2A | |
| SCHEMBL18773631 | 0.72 | — | — | |
| SCHEMBL10648273 | 0.72 | TSHR (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-2021013721-A1 | 5-AMINO SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-01-28 | — | — | WO | disclosed |