Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6136859 | 0.84 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL6136756 | 0.83 | SMN1; SMN2 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL8125018 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL31395309 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL6136801 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL3969958 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL6136798 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL6136858 | 0.72 | GRM5 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL27881516 | 0.72 | MEN1 (0.74) | ALDH1A1CYP2C9CYP2C19KDM4ECYP1A2 | |
| SCHEMBL2099494 | 0.72 | L3MBTL1 (0.46) | ALDH1A1CYP3A4CYP2C19KDM4EHPGD |
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-2020002087-A1 | SUBSTITUTED 3-HETEROARYLOXYPYRIDINES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | disclosed |