Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 7/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20219409 | 0.94 | KCNH2 (0.47) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL15470397 | 0.94 | KCNH2 (0.47) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL19269130 | 0.88 | TLR7 (0.51) | KCNH2TLR8TLR7 | |
| SCHEMBL15470387 | 0.88 | TLR7 (0.51) | KCNH2TLR8TLR7 | |
| SCHEMBL20219667 | 0.88 | TLR7 (0.51) | KCNH2TLR8TLR7 | |
| SCHEMBL19269129 | 0.82 | KCNH2 (0.52) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL20219377 | 0.82 | TLR8 (0.38) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL23472215 | 0.82 | TLR8 (0.38) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL20418730 | 0.82 | CYP2D6 (0.49) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL15470329 | 0.82 | CYP2D6 (0.49) | KCNH2TLR8TLR7CYP2D6DRD1 |
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-3590928-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-06-09 | — | — | EP | disclosed |