Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083611 | 0.82 | NOS3 (0.42) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL2083609 | 0.82 | NOS3 (0.42) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL20852900 | 0.79 | RRM2 (0.32) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL661675 | 0.76 | NOS3 (0.48) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL1206724 | 0.74 | NOS3 (0.46) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL7245034 | 0.74 | NOS3 (0.46) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL7235622 | 0.72 | NOS2 (0.45) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL7235627 | 0.72 | NOS2 (0.45) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL24861541 | 0.71 | — | — | |
| SCHEMBL19937127 | 0.69 | NOS3 (0.42) | NOS3NOS1NOS2CCR1CCR5 |
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-2017133657-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |