Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.36 |
| ▸ | CRACR2A | Q9BSW2 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.30 |
| ▸ | PDE2A | O00408 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL30130658 | 1.00 | GRIN1 (0.36) | GRIN1GRIN2BCRACR2ADRD2DRD4 | |
| SCHEMBL30130666 | 0.86 | CRACR2A (0.34) | GRIN1GRIN2BCRACR2AKCNH2HRH1 | |
| SCHEMBL30130660 | 0.81 | CRACR2A (0.32) | CRACR2APDE2A | |
| SCHEMBL30130675 | 0.78 | PDE2A (0.32) | GRIN1PDE2A | |
| SCHEMBL30130673 | 0.78 | PDE2A (0.32) | GRIN1PDE2A | |
| SCHEMBL30130686 | 0.77 | PDE2A (0.32) | PDE2A | |
| SCHEMBL30130668 | 0.73 | — | — | |
| SCHEMBL30130708 | 0.73 | CRACR2A (0.32) | CRACR2A | |
| SCHEMBL30130680 | 0.71 | — | — | |
| SCHEMBL19993248 | 0.70 | JAK2 (0.31) | — |
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-2022250069-A1 | SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2022-12-01 | — | — | WO | disclosed |