Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.30 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20599627 | 0.81 | NPSR1 (0.37) | NPSR1 | |
| SCHEMBL21598377 | 0.73 | NPSR1 (0.43) | NPSR1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL23326947 | 0.70 | NPSR1 (0.40) | NPSR1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL685215 | 0.69 | — | — | |
| SCHEMBL27651237 | 0.69 | NPSR1 (0.39) | NPSR1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL9414299 | 0.69 | NPSR1 (0.39) | NPSR1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL9414297 | 0.67 | NPSR1 (0.38) | NPSR1CYP2C19SMN1; SMN2 | |
| SCHEMBL685519 | 0.67 | — | — | |
| SCHEMBL786087 | 0.66 | — | — | |
| SCHEMBL685218 | 0.64 | — | — |
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-3645516-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | Janssen Pharmaceutica NV (BE) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019001420-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-03 | — | — | WO | disclosed |