Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | HTR1A | P08908 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | CCR8 | P51685 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | LITAF | Q99732 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22908406 | 0.89 | CYP2D6 (0.45) | CYP2D6HTR1AALDH1A1DRD2ADRA1A | |
| SCHEMBL21361251 | 0.86 | CYP3A4 (0.42) | CYP2D6HTR1AALDH1A1CYP3A4TSHR | |
| SCHEMBL22908403 | 0.83 | GRM5 (0.43) | CYP2D6HTR1AALDH1A1DRD2ADRA1A | |
| SCHEMBL22859575 | 0.82 | CYP2D6 (0.37) | CYP2D6ALDH1A1TSHRCYP1A2MEN1 | |
| SCHEMBL24120123 | 0.82 | ALDH1A1 (0.36) | CYP2D6ALDH1A1KCNH2CYP3A4CYP1A2 | |
| SCHEMBL22908538 | 0.79 | CCR8 (0.41) | CYP2D6HTR1AALDH1A1DRD2ADRA1A | |
| SCHEMBL21361271 | 0.79 | CYP2D6 (0.46) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL21361309 | 0.79 | CYP2D6 (0.35) | CYP2D6ALDH1A1TSHRCYP1A2MEN1 | |
| SCHEMBL21361218 | 0.77 | ACACB (0.34) | TNFLITAF | |
| SCHEMBL21361247 | 0.76 | L3MBTL1 (0.42) | CYP2D6ALDH1A1CCR8KCNH2CYP3A4 |
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 |