Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 2/20 | 0.32 |
| ▸ | BIRC3 | Q13489 | 2/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL16242466 | 1.00 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL16242467 | 1.00 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL16242468 | 1.00 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL12820534 | 0.93 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13059271 | 0.92 | CTSB (0.39) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL12820546 | 0.91 | CTSB (0.40) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL12820550 | 0.91 | CTSB (0.40) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL8000121 | 0.91 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL3432916 | 0.90 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL3432919 | 0.90 | CTSB (0.41) | 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-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |