Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11976286 | 1.00 | CTSB (0.39) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL1647306 | 1.00 | CTSB (0.39) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL3793516 | 1.00 | CTSB (0.39) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL11976285 | 0.90 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13082879 | 0.90 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL12820550 | 0.90 | CTSB (0.40) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL12820534 | 0.89 | CTSB (0.41) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13435941 | 0.89 | CTSB (0.39) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL13059614 | 0.89 | CTSB (0.37) | CTSBCTSSADRB3ADRA2BADRA2C | |
| SCHEMBL1646314 | 0.89 | CTSB (0.37) | 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-2103623-A2 | Novel macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |