Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.54 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL2840823 | 0.91 | CTSS (0.58) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8249098 | 0.89 | CTSS (0.69) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL2835019 | 0.88 | CTSB (0.54) | CTSSCTSB | |
| SCHEMBL2835640 | 0.85 | CTSB (0.52) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL2842525 | 0.84 | CTSS (0.42) | CTSSCTSB | |
| SCHEMBL2840391 | 0.83 | CTSS (0.57) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL13501933 | 0.83 | CTSS (0.57) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL13513269 | 0.83 | CTSS (0.57) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL2835045 | 0.83 | CTSB (0.49) | CTSSCTSB | |
| SCHEMBL2841189 | 0.82 | CTSB (0.49) | CTSSCTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1912981-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2010-01-20 | — | — | EP | disclosed |