Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL17539109 | 1.00 | GLS (0.37) | GLSHTR2CSLC6A4 | |
| SCHEMBL17539104 | 0.93 | GLS (0.36) | GLSHTR2CSLC6A4 | |
| SCHEMBL20169457 | 0.93 | GLS (0.36) | GLSHTR2CSLC6A4 | |
| SCHEMBL17509609 | 0.91 | GLS (0.30) | GLS | |
| SCHEMBL17509611 | 0.91 | GLS (0.30) | GLS | |
| SCHEMBL17539112 | 0.85 | GLS (0.39) | GLSHTR2CSLC6A4 | |
| SCHEMBL17509597 | 0.84 | — | — | |
| SCHEMBL17509599 | 0.84 | — | — | |
| SCHEMBL17539168 | 0.84 | GLS (0.39) | GLSHTR2CSLC6A4 | |
| SCHEMBL17509612 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9975848-B2 | Inhibitors of HIV-1 entry and methods of use thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-05-22 | — | — | US | disclosed |