Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14457549 | 1.00 | CTSS (0.43) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL7934082 | 1.00 | CTSS (0.43) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL18768476 | 1.00 | CTSS (0.43) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL20021632 | 0.98 | CTSS (0.44) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL7936003 | 0.95 | CTSS (0.42) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL18768644 | 0.95 | CTSS (0.42) | CTSSADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL20021633 | 0.95 | CTSS (0.38) | CTSS | |
| SCHEMBL13352032 | 0.94 | CTSS (0.42) | CTSSADRB3ADRA2BADRA2C | |
| SCHEMBL11930627 | 0.94 | CTSS (0.42) | CTSSADRB3ADRA2BADRA2C | |
| SCHEMBL19526362 | 0.93 | CTSS (0.42) | CTSSADRB3ADRA2BADRA2C |
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-2017064680-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF SIMEPREVIR SODIUM AND INTERMEDIATE THEREOF | LUPIN LIMITED (IN) | 2017-04-20 | — | — | WO | disclosed |