Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 2/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL24258278 | 0.95 | GRIN2B (0.35) | GRIN2BCYP2D6KCNH2CCR2CCR5 | |
| SCHEMBL19640558 | 0.86 | GRIN2B (0.36) | GRIN2BCYP2D6KCNH2CCR2CCR5 | |
| SCHEMBL19640517 | 0.84 | CYP11B1 (0.37) | GRIN2BCYP2D6KCNH2CCR2CCR5 | |
| SCHEMBL24258265 | 0.78 | RORC (0.33) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL24258279 | 0.77 | CACNA1B (0.33) | GRIN2BIRAK4 | |
| SCHEMBL23545651 | 0.76 | IRAK4 (0.37) | GRIN2BCYP2D6KCNH2CCR2IRAK4 | |
| SCHEMBL17501201 | 0.72 | RPS6KB1 (0.37) | GRIN2BKCNH2 | |
| SCHEMBL25691769 | 0.71 | RORC (0.32) | GRIN2BCYP2D6KCNH2IRAK4 | |
| SCHEMBL19655719 | 0.71 | CYP2C9 (0.36) | GRIN2BCYP2D6CCR2CCR5 | |
| SCHEMBL23555332 | 0.70 | SLC6A2 (0.38) | GRIN2BKCNH2IRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |