Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | ACACA | Q13085 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22908439 | 0.89 | HTR1A (0.38) | HTR1AACACACCR8KCNH2MAP3K14 | |
| SCHEMBL22908555 | 0.89 | CCR8 (0.36) | CYP3A4USP2CYP2D6HTR1ADRD2 | |
| SCHEMBL21343722 | 0.88 | CYP3A4 (0.34) | CYP3A4USP2CYP2D6ACACACCR8 | |
| SCHEMBL22908441 | 0.87 | DRD3 (0.41) | HTR1AADRA1ACCR8KCNH2CYP1A2 | |
| SCHEMBL22908432 | 0.86 | ACACA (0.33) | ACACACCR8KCNH2BTK | |
| SCHEMBL22908539 | 0.86 | CCR8 (0.47) | CYP3A4CYP2D6DRD2ADRA1ACCR8 | |
| SCHEMBL22908552 | 0.85 | CYP3A4 (0.44) | CYP3A4USP2CYP2D6CCR8KCNH2 | |
| SCHEMBL22908444 | 0.85 | EPHX2 (0.36) | CYP3A4CYP2D6ACACACCR8KCNH2 | |
| SCHEMBL22908538 | 0.84 | CCR8 (0.41) | CYP3A4USP2CYP2D6HTR1ADRD2 | |
| SCHEMBL22908536 | 0.84 | CYP2D6 (0.37) | CYP2D6CYP1A2BTKTSHR |
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 |