Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.70 |
| ▸ | CTSS | P25774 | 1/20 | 0.68 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL8246956 | 1.00 | CTSB (0.70) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL8251223 | 0.96 | CTSS (0.68) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13501970 | 0.94 | CTSS (0.67) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13502009 | 0.94 | CTSS (0.67) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13513277 | 0.94 | CTSS (0.67) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13501980 | 0.94 | CTSS (0.66) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13501992 | 0.93 | CTSS (0.68) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13501951 | 0.91 | CTSB (0.71) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL2839743 | 0.90 | CTSB (0.56) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL2839730 | 0.90 | CTSB (0.56) | CTSBCTSSADRB3ADRA2BADRA2C |
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 |