Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8277053 | 1.00 | CTSB (0.39) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL8306664 | 0.96 | CTSB (0.40) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL8000121 | 0.93 | CTSB (0.41) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL8172111 | 0.92 | CTSB (0.41) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL7993405 | 0.91 | CTSB (0.38) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL3470156 | 0.86 | CTSB (0.37) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL8202772 | 0.86 | CTSB (0.41) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL6384336 | 0.86 | CTSB (0.41) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL13059576 | 0.86 | CTSB (0.41) | CTSBADRB3ADRA2BADRA2CCTSS | |
| SCHEMBL11983928 | 0.86 | CTSB (0.41) | CTSBADRB3ADRA2BADRA2CCTSS |
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-1629000-B1 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2009-02-18 | — | — | EP | disclosed |