Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL24120374 | 0.91 | CYP2C19 (0.34) | CYP2D6CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL22908435 | 0.90 | GHSR (0.33) | CYP2D6CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL21344241 | 0.90 | CYP2D6 (0.42) | CYP2D6CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL22908408 | 0.90 | GHSR (0.33) | CYP2D6CYP2C19MEN1KMT2AMAPK1 | |
| SCHEMBL22908424 | 0.89 | JAK1 (0.35) | MAPK1 | |
| SCHEMBL22908536 | 0.89 | CYP2D6 (0.37) | CYP2D6CYP1A2MEN1KMT2ATSHR | |
| SCHEMBL22908425 | 0.88 | CCR1 (0.32) | CYP2C19ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL22908541 | 0.86 | LMNA (0.38) | ALDH1A1MEN1KMT2ATSHRHPGD | |
| SCHEMBL22908447 | 0.86 | HTR4 (0.34) | — | |
| SCHEMBL22908427 | 0.86 | HTR4 (0.34) | ALDH1A1CYP3A4TP53 |
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-2021009048-A1 | HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2021-01-21 | — | — | WO | disclosed |