Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 2/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.32 |
| ▸ | NSD2 | O96028 | 2/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL22908552 | 0.86 | CYP3A4 (0.44) | KCNH2CYP3A4ALDH1A1HSD17B10CCR8 | |
| SCHEMBL22908444 | 0.86 | EPHX2 (0.36) | KCNH2ACACACYP3A4ALDH1A1CCR8 | |
| SCHEMBL22908438 | 0.86 | CYP3A4 (0.35) | ACACAHTR1ADRD2ADRA1ACYP3A4 | |
| SCHEMBL21344281 | 0.86 | DPP4 (0.38) | KCNH2DPP4ACACAMMP2MMP13 | |
| SCHEMBL22908539 | 0.85 | CCR8 (0.47) | KCNH2DRD2ADRA1ACYP3A4ALDH1A1 | |
| SCHEMBL22908536 | 0.85 | CYP2D6 (0.37) | BTK | |
| SCHEMBL22908440 | 0.84 | HTR1A (0.37) | KCNH2HTR1ADRD2ADRA1ACYP3A4 | |
| SCHEMBL22908538 | 0.83 | CCR8 (0.41) | KCNH2HTR1ADRD2ADRA1ACYP3A4 | |
| SCHEMBL22908447 | 0.82 | HTR4 (0.34) | KCNH2ACACACCR8BTK | |
| SCHEMBL22908427 | 0.82 | HTR4 (0.34) | ACACACYP3A4ALDH1A1BTK |
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 |