Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.72 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1101742 | 0.95 | CTSS (0.72) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL826164 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL828773 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL16981492 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL828775 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL828774 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL851151 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL10303810 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL18768649 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL997576 | 0.92 | CTSS (0.82) | CTSSCTSBADRB3ADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| US-8153800-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2012-04-10 | — | — | US | disclosed |