Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13038779 | 0.91 | CYP3A4 (0.65) | CYP3A4PSIP1 | |
| SCHEMBL26076852 | 0.88 | CYP3A4 (0.78) | CYP3A4PSIP1EDNRA | |
| Bi-224436 SCHEMBL12987894 | 0.87 | CYP3A4 (1.00) | CYP3A4PSIP1EDNRA | |
| Bi-224436 SCHEMBL29450566 | 0.87 | CYP3A4 (1.00) | CYP3A4PSIP1EDNRA | |
| SCHEMBL13191166 | 0.85 | CYP3A4 (0.87) | CYP3A4PSIP1EDNRA | |
| SCHEMBL13191540 | 0.84 | CYP3A4 (0.85) | CYP3A4PSIP1EDNRA | |
| SCHEMBL18892404 | 0.82 | CYP3A4 (0.56) | CYP3A4 | |
| SCHEMBL20212446 | 0.81 | CYP3A4 (0.76) | CYP3A4EDNRA | |
| SCHEMBL20212441 | 0.81 | CYP3A4 (0.76) | CYP3A4EDNRA | |
| SCHEMBL18892033 | 0.81 | CYP3A4 (0.54) | CYP3A4 |
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-2023183472-A1 | ANTIVIRAL PRODRUGS AND USE THEREOF | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2023-09-28 | — | — | WO | disclosed |