Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22908538 | 0.92 | CCR8 (0.41) | CYP3A4CYP2D6CCR8KCNH2CYP2C9 | |
| SCHEMBL22908431 | 0.91 | GRM3 (0.46) | CYP3A4CYP2D6CYP2C9TSHRCYP1A2 | |
| SCHEMBL22908553 | 0.91 | TDP1 (0.43) | CYP3A4CYP2D6CCR8KCNH2ALDH1A1 | |
| SCHEMBL22908437 | 0.87 | MGLL (0.44) | CCR8KCNH2ALDH1A1LMNA | |
| SCHEMBL22908539 | 0.86 | CCR8 (0.47) | CYP3A4CYP2D6CCR8KCNH2CYP2C9 | |
| SCHEMBL22908443 | 0.86 | KCNH2 (0.34) | CYP3A4CCR8KCNH2ALDH1A1HSD17B10 | |
| SCHEMBL22908536 | 0.86 | CYP2D6 (0.37) | CYP2D6CYP2C9TSHRCYP1A2MEN1 | |
| SCHEMBL22908440 | 0.86 | HTR1A (0.37) | CYP3A4CYP2D6CCR8KCNH2CYP2C9 | |
| SCHEMBL22908445 | 0.85 | CYP3A4 (0.34) | CYP3A4CYP2D6CCR8KCNH2TSHR | |
| SCHEMBL22908438 | 0.85 | CYP3A4 (0.35) | CYP3A4CYP2D6CYP2C9TSHRMAPK1 |
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 |