Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL25086833 | 0.84 | CYP2C9 (0.34) | CYP2C9ADORA2B | |
| SCHEMBL3521446 | 0.74 | GAA (0.41) | CYP2C9LMNAADORA2BALDH1A1GAA | |
| SCHEMBL23635607 | 0.72 | HTT (0.37) | CYP2C9ITGB1ITGA4ITGB7LMNA | |
| SCHEMBL23635717 | 0.68 | ADORA2A (0.31) | CYP2C9LMNACYP2C19ADORA2AMAOB | |
| SCHEMBL23635681 | 0.66 | AOC3 (0.34) | CYP2C9KDM4EALDH1A1ADORA2AMAOB | |
| SCHEMBL27935676 | 0.62 | ALDH1A1 (0.39) | LMNAADORA2BKDM4EALDH1A1GLA | |
| SCHEMBL3521123 | 0.61 | KDM4E (0.44) | LMNAKDM4EALDH1A1GAACYP2D6 | |
| SCHEMBL3788743 | 0.61 | ADORA2B (0.38) | LMNAADORA2BKDM4EALDH1A1GLA | |
| SCHEMBL73817 | 0.60 | PDE4A (0.35) | CYP2C9LMNAADORA2BKDM4EALDH1A1 | |
| SCHEMBL25086826 | 0.60 | — | — |
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-2021139482-A1 | CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2021-07-15 | — | — | WO | disclosed |