Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 2/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.37 |
| ▸ | HTR2C | P28335 | 7/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19236010 | 0.83 | MCHR1 (0.39) | GLSMCHR1HTR2CSLC6A4HTR2A | |
| SCHEMBL17539139 | 0.82 | GLS (0.37) | GLSMCHR1HTR2CSLC6A4HTR2A | |
| SCHEMBL17539112 | 0.82 | GLS (0.39) | GLSMCHR1HTR2CSLC6A4HTR2A | |
| SCHEMBL17539107 | 0.81 | GLS (0.37) | GLSMCHR1HTR2CSLC6A4HTR2A | |
| SCHEMBL17539168 | 0.81 | GLS (0.39) | GLSMCHR1HTR2CSLC6A4HTR2A | |
| SCHEMBL17539131 | 0.81 | GLS (0.37) | GLSMCHR1HTR2CSLC6A4HTR2A | |
| SCHEMBL17539109 | 0.77 | GLS (0.37) | GLSHTR2CSLC6A4 | |
| SCHEMBL17539104 | 0.77 | GLS (0.36) | GLSHTR2CSLC6A4 | |
| SCHEMBL20169461 | 0.77 | GLS (0.37) | GLSHTR2CSLC6A4 | |
| SCHEMBL20169457 | 0.77 | GLS (0.36) | GLSHTR2CSLC6A4 |
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 |