Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13502003 | 1.00 | CTSS (0.55) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8251592 | 0.96 | CTSS (0.54) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8242171 | 0.96 | CTSS (0.54) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8249569 | 0.96 | CTSB (0.56) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL13501954 | 0.96 | CTSS (0.54) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8248050 | 0.95 | CTSS (0.53) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8250858 | 0.92 | CTSS (0.53) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL13501952 | 0.91 | CTSS (0.54) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL2839273 | 0.90 | ADRB3 (0.50) | CTSSCTSBADRB3ADRA2BADRA2C | |
| SCHEMBL13502002 | 0.90 | ADRB3 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2007014927-A2 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-02-08 | — | — | WO | disclosed |