Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL13248842 | 1.00 | ADRB3 (0.50) | ADRB3ADRA2BADRA2CHTR3EHTR3B | |
| SCHEMBL12735499 | 0.87 | ADRB3 (0.42) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL13248826 | 0.85 | ADRB3 (0.58) | ADRB3ADRA2BADRA2CHTR3EHTR3B | |
| SCHEMBL13248827 | 0.84 | ADRB3 (0.57) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL13248830 | 0.83 | ADRB3 (0.57) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL3373349 | 0.82 | ADRB3 (0.40) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL13757916 | 0.82 | ADRB3 (0.40) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL13248841 | 0.82 | ADRB3 (0.54) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL13248824 | 0.81 | ADRB3 (0.55) | ADRB3ADRA2BADRA2CCYP3A4 | |
| SCHEMBL12732626 | 0.81 | ADRB3 (0.42) | ADRB3ADRA2BADRA2CHTR3EHTR3B |
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-2005070955-A1 | MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-08-04 | — | — | WO | disclosed |