Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP8 | Q14790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3691235 | 1.00 | CYP3A4 (0.50) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL3691232 | 1.00 | CYP3A4 (0.50) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL14586494 | 1.00 | CYP3A4 (0.50) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL14586118 | 1.00 | CYP3A4 (0.50) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL14586233 | 0.98 | CYP3A4 (0.49) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL8305825 | 0.94 | CYP3A4 (0.50) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL3701671 | 0.94 | CYP3A4 (0.50) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL3701675 | 0.94 | CYP3A4 (0.50) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL5563205 | 0.94 | CYP3A4 (0.47) | CYP3A4CTSBADRB3ADRA2BADRA2C | |
| SCHEMBL5563198 | 0.94 | CYP3A4 (0.47) | CYP3A4CTSBADRB3ADRA2BADRA2C |
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 3 patents. 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 |
| US-7173004-B2 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |