Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 11/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23472465 | 0.85 | KCNH2 (0.55) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL20219312 | 0.83 | CYP2D6 (0.56) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL13195751 | 0.83 | CYP2D6 (0.56) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL23472430 | 0.82 | TLR8 (0.57) | KCNH2TLR8TLR7NUDT1 | |
| SCHEMBL19269129 | 0.82 | KCNH2 (0.52) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL12692509 | 0.81 | NUDT1 (0.53) | KCNH2TLR8TLR7NUDT1 | |
| SCHEMBL20418730 | 0.79 | CYP2D6 (0.49) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL15470329 | 0.79 | CYP2D6 (0.49) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL15470137 | 0.79 | TLR7 (0.54) | KCNH2CYP2D6TLR8DRD1HTR2A | |
| SCHEMBL21769312 | 0.77 | KCNH2 (0.58) | KCNH2CYP2D6TLR8DRD1HTR2A |
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 2 patents. 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 |
| EP-2694484-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UC (IE) | 2018-07-18 | — | — | EP | disclosed |